 Entering Gaussian System, Link 0=g16
 Input=14_bornylOAc_STD_B3LYPDBJ-def2TZVPDr.in
 Output=14_bornylOAc_STD_B3LYPDBJ-def2TZVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2TZVPD.gbs
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               5253.2344745              0.95310527769D-02
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            S    8   1.00
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               5885.6618668              0.93943844255D-02
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                194.57803492             0.29004470954
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                 58.840299883           -0.11547027448
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            S    1   1.00
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                197.93040142             0.20076506686D-01
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            D    1   1.00
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            -Sc     0
            S    8   1.00
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              28723.8503630              0.17890329946D-02
               6537.0116490              0.92990401140D-02
               1850.3097171              0.37739438011D-01
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                216.17324766             0.28814821470
                 83.712517880            0.40517543099
                 32.908707189            0.20566019623
            S    4   1.00
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                 65.128920139           -0.11570158142
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                224.09699732             0.19742967060D-01
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            -Ti     0
            S    8   1.00
             211575.6902500              0.23318151011D-03
              31714.9450580              0.18079690851D-02
               7217.5476543              0.93984311352D-02
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            S    4   1.00
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            -V     0
            S    8   1.00
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              34828.8411700              0.17888178962D-02
               7926.5448691              0.92992490131D-02
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                262.32219631             0.28963508811
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                 40.064784617            0.21113610858
            S    4   1.00
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                280.23075192             0.19643454466D-01
                 89.643627137            0.90796949190D-01
                 33.242411253            0.25650768222
                 13.144514452            0.40815393750
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              38131.7970540              0.18142601800D-02
               8675.2930607              0.94363925721D-02
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                286.90021489             0.29489696029
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                309.25311441             0.19544041017D-01
                 98.996273963            0.90651794553D-01
                 36.756916451            0.25699279154
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            -Mn     0
            S    8   1.00
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              41550.7698900              0.17707650375D-02
               9455.9700152              0.92077209994D-02
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                312.98306420             0.28824392499
                121.44454051             0.41041600847
                 47.922598829            0.21372375145
            S    4   1.00
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                342.06551197             0.19369286864D-01
                109.58400891             0.90236108988D-01
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              10262.5163170              0.91927083490D-02
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                339.87832894             0.28818881468
                131.94425588             0.41126612677
                 52.111494077            0.21518583573
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                101.92332739            -0.11683089050
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                  6.8840675801           0.53601640182
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                375.38006499             0.19253154755D-01
                120.31816501             0.90021836536D-01
                 44.788749031            0.25798172356
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            S    8   1.00
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              48839.6364530              0.17499397533D-02
              11114.9373070              0.91003134097D-02
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                368.02508816             0.28598731649
                142.91229205             0.40908312004
                 56.482649209            0.21500145739
            S    4   1.00
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                409.91750438             0.19382999967D-01
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            ****
            -Ni     0
            S    8   1.00
             351535.7293500              0.22529386884D-03
              52695.8092830              0.17468616223D-02
              11992.4682930              0.90849992136D-02
               3394.5776689              0.36940748447D-01
               1105.3594585              0.12032819950
                397.14677769             0.28596715057
                154.27542974             0.40983020196
                 61.018723780            0.21620642851
            S    4   1.00
                384.45559739            -0.24651279268D-01
                119.04879199            -0.11658505277
                 19.137012223            0.54864126676
                  8.1526718562           0.52640051122
            S    2   1.00
                 12.579408642           -0.22797884293
                  2.0870866081           0.70703738215
            S    1   1.00
                  0.86432568555          1.0000000
            S    1   1.00
                  0.13283169217          1.0000000
            S    1   1.00
                  0.46845327726D-01      1.0000000
            P    6   1.00
               1883.0907486              0.23748258443D-02
                445.95155320             0.19289457172D-01
                143.08430815             0.90718211507D-01
                 53.372920722            0.26181414117
                 21.321919357            0.42309149832
                  8.6643561994           0.24641686015
            P    3   1.00
                 34.144255211           -0.29677129163D-01
                  4.7122455921           0.55616824096
                  1.8709231845           0.96357766460
            P    1   1.00
                  0.70370016267          1.0000000
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.36887339850D-01      1.0000000
            D    4   1.00
                 74.591603465            0.12077454672D-01
                 21.590632752            0.74637262154D-01
                  7.6246142580           0.23236775502
                  2.8632206762           0.39042651680
            D    1   1.00
                  1.0311063388            .39509498921
            D    1   1.00
                  0.33060760691           .21138769167
            D    1   1.00
                  0.1060000              1.0000000
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    8   1.00
             377518.7992300              0.22811766128D-03
              56589.9843110              0.17688035931D-02
              12878.7117060              0.91993460227D-02
               3645.3752143              0.37411016434D-01
               1187.0072945              0.12189873737
                426.46421902             0.28983900714
                165.70660164             0.41531872174
                 65.598942707            0.21905799287
            S    4   1.00
                414.41265811            -0.24682525053D-01
                128.32056039            -0.11716827406
                 20.622089750            0.55301315941
                  8.7821226045           0.52242718609
            S    2   1.00
                 13.741372006           -0.22736061821
                  2.2431246833           0.71761210873
            S    1   1.00
                  0.89370549079          1.0000000
            S    1   1.00
                  0.10836699534          1.0000000
            S    1   1.00
                  0.38806178058D-01      1.0000000
            P    6   1.00
               2034.7596692              0.23524822298D-02
                481.90468106             0.19134070751D-01
                154.67482963             0.90171105278D-01
                 57.740576969            0.26063284735
                 23.099052811            0.42093485770
                  9.3882478591           0.24344615121
            P    3   1.00
                 37.596171210           -0.28991094530D-01
                  5.1240690810           0.54919083831
                  2.0119996085           0.93793330488
            P    1   1.00
                  0.73860686002          1.0000000
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.34015997020D-01      1.0000000
            D    4   1.00
                 74.129460637            0.14363216676D-01
                 21.359842587            0.86628177096D-01
                  7.4995240537           0.25631430541
                  2.7601394169           0.40374062368
            D    1   1.00
                  0.95362061236           .39427042447
            D    1   1.00
                  0.28420862520           .23091146816
            D    1   1.00
                  0.0850000              1.0000000
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    8   1.00
             405924.3102800              0.22442017483D-03
              60846.9557350              0.17402086626D-02
              13847.3430920              0.90513339565D-02
               3919.6158551              0.36817341445D-01
               1276.3594167              0.12004850256
                458.67254435             0.28576057621
                178.28725246             0.41087462062
                 70.612192837            0.21816962456
            S    4   1.00
                443.88077950            -0.24934274984D-01
                137.55875267            -0.11817955766
                 22.268083479            0.55367318468
                  9.5217310606           0.52628934936
            S    2   1.00
                 14.874114065           -0.22929955254
                  2.4647517612           0.71135484742
            S    1   1.00
                  1.0113272238           1.0000000
            S    1   1.00
                  0.14919852089          1.0000000
            S    1   1.00
                  0.51441872981D-01      1.0000000
            P    6   1.00
               2205.3508534              0.23356240448D-02
                522.35300699             0.19031022634D-01
                167.73055542             0.89955758675D-01
                 62.670045373            0.26113248631
                 25.109749456            0.42348448173
                 10.225142681            0.24618926885
            P    3   1.00
                 40.713442521           -0.30029667592D-01
                  5.6247090696           0.55575254864
                  2.2279949116           0.95581013442
            P    1   1.00
                  0.83354741691          1.0000000
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.0477690              1.0000000
            P    1   1.00
                  0.21234841485D-01      1.0000000
            D    4   1.00
                 88.554315311            0.12728170015D-01
                 25.721525557            0.79394499843D-01
                  9.1278367624           0.24491506805
                  3.4312364064           0.40390526479
            D    1   1.00
                  1.2308920645            .40158491145
            D    1   1.00
                  0.39031845112           .21579805034
            D    1   1.00
                  0.1240000              1.0000000
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    8   1.00
             435548.6625400              0.23646329650D-03
              65289.5890310              0.18335271776D-02
              14858.7842560              0.95371863081D-02
               4205.9734729              0.38803412468D-01
               1369.6416431              0.12661604848
                492.30348905             0.30175310292
                191.41923233             0.43543934218
                 75.840558665            0.23282363780
            S    4   1.00
                474.30810613            -0.26743707958D-01
                147.10297560            -0.12654657542
                 23.982599435            0.58840346839
                 10.298230094            0.56324271589
            S    2   1.00
                 16.050381430           -0.24516439508
                  2.6988468784           0.74578049593
            S    1   1.00
                  1.1428588736           1.0000000
            S    1   1.00
                  0.20217652251          1.0000000
            S    1   1.00
                  0.71980152032D-01      1.0000000
            S    1   1.00
                  0.30102057284D-01      1.0000000
            P    6   1.00
               2432.0171070              0.22434065928D-02
                576.12049582             0.18342265336D-01
                185.11584354             0.87279697167D-01
                 69.246572556            0.25684868351
                 27.818107777            0.42398378107
                 11.420229938            0.25701340043
            P    3   1.00
                 42.819661530           -0.19326519119D-01
                  6.3885901000           0.31571386917
                  2.6698993326           0.57617792822
            P    1   1.00
                  1.0781783834           1.0000000
            P    1   1.00
                  0.22796559371          1.0000000
            P    1   1.00
                  0.62836234833D-01      1.0000000
            D    5   1.00
                103.92331829             0.11464613652D-01
                 30.371094389            0.73625747383D-01
                 10.872078097            0.23505107382
                  4.1549137954           0.40318563513
                  1.5345659145           0.40824748152
            D    1   1.00
                  0.51114263830           .20502439263
            D    1   1.00
                  0.30622000             1.0000000
            D    1   1.00
                  0.11391309             1.0000000
            D    1   1.00
                  0.42871691594D-01      1.0000000
            F    1   1.00
                  0.30996095             1.0000000
            ****
            -Ge     0
            S    8   1.00
             466115.0059200              0.22487264660D-03
              69875.4207620              0.17435426729D-02
              15903.2767160              0.90691482206D-02
               4501.8233453              0.36906174685D-01
               1466.0570924              0.12050167907
                527.07841728             0.28748641703
                205.00395074             0.41622321885
                 81.251596065            0.22397845695
            S    4   1.00
                505.74661282            -0.25184609291D-01
                156.96593744            -0.11898929721
                 25.761448176            0.54930135870
                 11.106654687            0.52939309129
            S    2   1.00
                 17.272059104           -0.22854595728
                  2.9438289048           0.68377930317
            S    1   1.00
                  1.2839164916           1.0000000
            S    1   1.00
                  0.25873337445          1.0000000
            S    1   1.00
                  0.93524913177D-01      1.0000000
            S    1   1.00
                  0.41984351140D-01      1.0000000
            P    6   1.00
               2633.9346241              0.22143925310D-02
                624.00161628             0.18140899141D-01
                200.58528404             0.86632184922D-01
                 75.097081525            0.25649020592
                 30.214388474            0.42658611262
                 12.440087567            0.26200527313
            P    3   1.00
                 45.981316002           -0.20321767678D-01
                  6.9945654416           0.32013744527
                  2.9686001327           0.59051014555
            P    1   1.00
                  1.2320988495           1.0000000
            P    1   1.00
                  0.28981614974          1.0000000
            P    1   1.00
                  0.85564606447D-01      1.0000000
            D    5   1.00
                119.44887581             0.10586544521D-01
                 35.062915293            0.69601280945D-01
                 12.636924529            0.22807035287
                  4.8888672922           0.40301067220
                  1.8453195392           0.41304847015
            D    1   1.00
                  0.63571158892           .19639209740
            D    1   1.00
                  0.35492132             1.0000000
            D    1   1.00
                  0.13155709             1.0000000
            D    1   1.00
                  0.56134940012D-01      1.0000000
            F    1   1.00
                  0.36210645             1.0000000
            ****
            -As     0
            S    8   1.00
             498032.4215800              0.22740196900D-03
              74656.8687430              0.17632816413D-02
              16990.9600040              0.91728040381D-02
               4809.6200321              0.37337829344D-01
               1566.2887055              0.12199536117
                563.21360499             0.29137475324
                219.11179978             0.42326351479
                 86.866061030            0.22921464278
            S    4   1.00
                538.19512479            -0.25254197297D-01
                167.14850224            -0.11915461115
                 27.605517159            0.54628495980
                 11.947858521            0.53001520976
            S    2   1.00
                 18.538023133           -0.23479188136
                  3.2018985739           0.69167053428
            S    1   1.00
                  1.4356522077           1.0000000
            S    1   1.00
                  0.31837805200          1.0000000
            S    1   1.00
                  0.11622632186          1.0000000
            S    1   1.00
                  0.50450200093D-01      1.0000000
            P    6   1.00
               2678.9421546              0.23318955287D-02
                634.61765840             0.19042149977D-01
                203.93967606             0.90229744913D-01
                 76.323890369            0.26169037693
                 30.664124943            0.41857168155
                 12.505056732            0.23447830190
            P    4   1.00
                 49.256229549           -0.21235539870D-01
                  7.7274891466           0.30470206668
                  3.5410493476           0.52888373107
                  1.6985585501           0.37272250955
            P    1   1.00
                  0.76848071044          1.0000000
            P    1   1.00
                  0.30050823260          1.0000000
            P    1   1.00
                  0.98190639437D-01      1.0000000
            D    5   1.00
                135.33289305             0.99291144106D-02
                 39.860212744            0.66568843496D-01
                 14.446428359            0.22275768307
                  5.6432900356           0.40309224382
                  2.1668188623           0.41671667946
            D    1   1.00
                  0.76514970569           .18935502288
            D    1   1.00
                  0.42434653             1.0000000
            D    1   1.00
                  0.16331527             1.0000000
            D    1   1.00
                  0.67575334568D-01      1.0000000
            F    1   1.00
                  0.43271941             1.0000000
            ****
            -Se     0
            S    8   1.00
             531071.6669600              0.24108973168D-03
              79603.0441170              0.18696431441D-02
              18115.8442400              0.97271616536D-02
               5127.8923194              0.39604793031D-01
               1669.9130839              0.12948855136
                600.57534527             0.30959437289
                233.70021247             0.45115769216
                 92.672443932            0.24579189033
            S    4   1.00
                571.57513675            -0.26895707881D-01
                177.63686375            -0.12670989353
                 29.517767052            0.57699001719
                 12.824399795            0.56369075408
            S    2   1.00
                 19.848235841           -0.25132415534
                  3.4744018486           0.72905416980
            S    1   1.00
                  1.5988910849           1.0000000
            S    1   1.00
                  0.38333469387          1.0000000
            S    1   1.00
                  0.14049742459          1.0000000
            S    1   1.00
                  0.45053485505D-01      1.0000000
            P    6   1.00
               2815.3500566              0.25569026854D-02
                666.92558298             0.20874026901D-01
                214.34213188             0.98772096250D-01
                 80.246687942            0.28471821221
                 32.251081288            0.45003584934
                 13.106432562            0.24416091055
            P    4   1.00
                 53.366108516           -0.21558456273D-01
                  8.1827777195           0.32662310638
                  3.6239945672           0.57740499319
                  1.6341591401           0.34301320826
            P    1   1.00
                  0.58418320228          1.0000000
            P    1   1.00
                  0.23966269279          1.0000000
            P    1   1.00
                  0.88785134803D-01      1.0000000
            P    1   1.00
                  0.26632920997D-01      1.0000000
            D    5   1.00
                151.82910279             0.93970276988D-02
                 44.839992523            0.64086503991D-01
                 16.328999510            0.21834238004
                  6.4305057612           0.40314789649
                  2.5048025169           0.41966491490
            D    1   1.00
                  0.90271148434           .18366663432
            D    1   1.00
                  0.47683613             1.0000000
            D    1   1.00
                  0.18535160             1.0000000
            D    1   1.00
                  0.64254758023D-01      1.0000000
            F    1   1.00
                  0.48866905             1.0000000
            ****
            -Br     0
            S    8   1.00
             565073.2525600              0.23660314690D-03
              84701.7231790              0.18348332508D-02
              19276.2719000              0.95465849860D-02
               5456.4284576              0.38877142153D-01
               1776.9503500              0.12718314231
                639.19398276             0.30437662191
                248.78823961             0.44490940497
                 98.678305494            0.24381643058
            S    4   1.00
                606.07824568            -0.26527158709D-01
                188.45598484            -0.12484584809
                 31.497144506            0.56468683559
                 13.736008320            0.55555268564
            S    2   1.00
                 21.203212766           -0.24940920493
                  3.7616420178           0.71213119743
            S    1   1.00
                  1.7735933962           1.0000000
            S    1   1.00
                  0.45197413664          1.0000000
            S    1   1.00
                  0.16613377099          1.0000000
            S    1   1.00
                  0.52769579657D-01      1.0000000
            P    6   1.00
               3019.6955723              0.24971049798D-02
                715.35481126             0.20419267596D-01
                229.98328751             0.96897148309D-01
                 86.167844615            0.28053901252
                 34.667870802            0.44606390473
                 14.113870307            0.24410073923
            P    4   1.00
                 57.085653082           -0.21855950710D-01
                  8.8193845840           0.32707075320
                  3.9340302872           0.57855229520
                  1.7998830384           0.33570987698
            P    1   1.00
                  0.66899410512          1.0000000
            P    1   1.00
                  0.27136238231          1.0000000
            P    1   1.00
                  0.10083790243          1.0000000
            P    1   1.00
                  0.29005224647D-01      1.0000000
            D    5   1.00
                168.85370257             0.89663981988D-02
                 49.977949919            0.62062059316D-01
                 18.274913338            0.21474732384
                  7.2455694631           0.40335336746
                  2.8562315025           0.42208813080
            D    1   1.00
                  1.0459621144            .17874813267
            D    1   1.00
                  0.56865655             1.0000000
            D    1   1.00
                  0.22031490             1.0000000
            D    1   1.00
                  0.75865567476D-01      1.0000000
            F    1   1.00
                  0.57083312             1.0000000
            ****
            -Kr     0
            S    8   1.00
             600250.9757500              0.23740610399D-03
              89976.6507810              0.18410240539D-02
              20476.8142250              0.95795580699D-02
               5796.1554078              0.39020650488D-01
               1887.5913196              0.12772645628
                679.11458519             0.30596521300
                264.38244511             0.44857474437
                104.88368574             0.24722957327
            S    4   1.00
                641.47370764            -0.26745279805D-01
                199.57524820            -0.12571122567
                 33.545462954            0.56483736390
                 14.683955144            0.55972765539
            S    2   1.00
                 22.603101860           -0.25298771800
                  4.0650682991           0.70992159965
            S    1   1.00
                  1.9611027060           1.0000000
            S    1   1.00
                  0.52465147979          1.0000000
            S    1   1.00
                  0.19332399511          1.0000000
            S    1   1.00
                  0.61730246979D-01      1.0000000
            P    6   1.00
               3232.9589614              0.24885607974D-02
                765.96442694             0.20379007428D-01
                246.33940810             0.96977188584D-01
                 92.365283041            0.28199960954
                 37.199509551            0.45116254358
                 15.172166534            0.24917131496
            P    4   1.00
                 60.931321698           -0.22173603519D-01
                  9.4792600646           0.32838462778
                  4.2564686326           0.58124997120
                  1.9729313762           0.32863541783
            P    1   1.00
                  0.76337108716          1.0000000
            P    1   1.00
                  0.30943625526          1.0000000
            P    1   1.00
                  0.11569704458          1.0000000
            P    1   1.00
                  0.32364688085D-01      1.0000000
            D    5   1.00
                186.41760904             0.86120284601D-02
                 55.274124345            0.60394406304D-01
                 20.283219120            0.21181331869
                  8.0884536976           0.40366293413
                  3.2214033853           0.42402860686
            D    1   1.00
                  1.1952170102            .17441742274
            D    1   1.00
                  0.6480000              1.0000000
            D    1   1.00
                  0.2510000              1.0000000
            D    1   1.00
                  0.87900125404D-01      1.0000000
            F    1   1.00
                  0.6280000              1.0000000
            ****
            -Rb     0
            S    2   1.00
                  7.4744618040           0.26997866363
                  6.7296180594          -0.42629251814
            S    1   1.00
                  2.7816640004           1.0000000
            S    1   1.00
                  0.53452175148          1.0000000
            S    1   1.00
                  0.22368793034          1.0000000
            S    1   1.00
                  0.32410407052D-01      1.0000000
            S    1   1.00
                  0.14171047424D-01      1.0000000
            P    4   1.00
                  5.6720643194           0.48114224135D-01
                  3.3320183956          -0.18485131426
                  0.80150054910          0.42811864954
                  0.36302220227          0.58673165411
            P    1   1.00
                  0.15733924392          1.0000000
            P    1   1.00
                  0.40000000000D-01      1.0000000
            P    1   1.00
                  0.16000000000D-01      1.0000000
            D    1   1.00
                  0.25907866956          0.76806746340D-01
            D    1   1.00
                  0.42507438045D-01      0.37846160487
            D    1   1.00
                  0.11909276840D-01      1.0000000
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                 33.404240134            0.68377675770D-02
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
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                  6.2390917199           0.38470524721
            S    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
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            D    1   1.00
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            ****
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            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
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            S    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    2   1.00
                  6.0000000000          -0.56587174838
                  4.9822082226           0.97514768535
            S    1   1.00
                  2.1451943914           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  4.9017938336           0.67755479813
                  2.6142685062          -0.46010554954
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            P    1   1.00
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            D    1   1.00
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                 10.00                   0.073
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44174952534
                  4.2709780000           0.85812466843
            S    1   1.00
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            S    1   1.00
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                  3.6808191615           0.14675038550
                  2.3265462081          -0.35581819167
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            -Hf     0
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                 16.000000000           -3.5064630782
                 14.400000000            4.3082581000
                 10.304504667           -0.91045809742
            S    1   1.00
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                  4.9203967161          -0.28227924657
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            P    1   1.00
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            D    1   1.00
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            ****
            -Ta     0
            S    4   1.00
                 24.473650944            0.20590322488
                 18.721372549           -0.74670795514
                 11.500000000            3.4071363897
                 10.350000000           -2.8175487609
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 12.008186536            0.10336287365
                  5.0278760583          -0.28526521696
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    3   1.00
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            D    1   1.00
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            -W     0
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                 30.000000000            0.32246483410
                 27.000000000           -0.46692257214
                 13.078045684            0.42699563776
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                 12.431973432            0.10905673845
                  5.1586217658          -0.29399955020
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  5.9026268603          -0.17667540011
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            D    1   1.00
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            D    1   1.00
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            ****
            -Re     0
            S    3   1.00
                 30.000000000            0.31780717811
                 27.000000000           -0.46492321332
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 12.318606250            0.99711498502D-01
                  5.3719234505          -0.29289398145
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  6.0949443610          -0.17722258734
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            D    1   1.00
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            D    1   1.00
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            ****
            -Os     0
            S    3   1.00
                 30.000000000            0.32213004804
                 27.000000000           -0.47922918137
                 13.524730005            0.47465946837
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 14.000000000           -0.23201520402
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                  1.4139502215          -0.54253238176
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  6.3060397430          -0.16444229630
                  1.4890109110           0.55154541033
                  0.67315390607          0.88461370291
            D    1   1.00
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            D    1   1.00
                  0.11058012051          1.0000000
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                  0.5506500              1.0000000
            ****
            -Ir     0
            S    3   1.00
                 30.000000000            0.30797903228
                 27.000000000           -0.46726361781
                 13.961973911            0.47161003146
            S    1   1.00
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            P    4   1.00
                 15.902664143           -0.16290720099
                 14.415830698            0.23483212987
                  5.7597608991          -0.30305337176
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  6.5898192302          -0.17326965173
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                  0.71827834905          0.85273641436
            D    1   1.00
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            D    1   1.00
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            ****
            -Pt     0
            S    3   1.00
                 30.000000000            0.27148263900
                 27.000000000           -0.42226758774
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 14.000000000            0.23853412989
                  6.1161212339          -0.31041379733
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  7.4207226520          -0.90271847072D-01
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            D    1   1.00
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            D    1   1.00
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            ****
            -Au     0
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                 27.000000000           -0.33267893394
                 14.746824331            0.38302817958
            S    1   1.00
                  5.6017248938           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  1.6595601681          -0.57279670446
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  7.2698886937          -0.93690906606D-01
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                  0.79960541055          0.46795192483
            D    1   1.00
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            D    1   1.00
                  0.12445133105          1.0000000
            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    3   1.00
                 48.013786990            0.58008164912D-02
                 21.239875095           -0.17328165235
                 15.876100879            0.36416685034
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                 15.252594855            0.15327318234
                  6.4404715169          -0.30274955249
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            P    1   1.00
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            P    1   1.00
                  0.41304540122          1.0000000
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  7.5920661493          -0.94774230522D-01
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                  0.88641552102          0.45567078406
            D    1   1.00
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            D    1   1.00
                  0.14880740086          1.0000000
            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    4   1.00
                729.65038145             0.13672829828D-03
                 46.665548707            0.60443439951D-02
                 20.970448726           -0.20022066697
                 14.149588677            0.40801678488
            S    2   1.00
                 20.730134285           -0.71861135918D-01
                  6.1527631309           0.98057508445
            S    1   1.00
                  1.5757324480           1.0000000
            S    1   1.00
                  0.74980169458          1.0000000
            S    1   1.00
                  0.19536816194          1.0000000
            S    1   1.00
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            S    1   1.00
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            P    3   1.00
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                 14.814929544           -0.72859235151
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            P    3   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  9.7368866667           0.24456562496D-01
                  6.9256201679          -0.69914775031D-01
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                  1.0836187110           0.29731629705
                  0.52356298209          0.23728708102
            D    1   1.00
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            D    1   1.00
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            D    1   1.00
                  0.30807799761D-01      1.0000000
            F    1   1.00
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            F    1   1.00
                  0.2843500              1.0000000
            ****
            -Pb     0
            S    4   1.00
                591.61124370             0.22126521076D-03
                 46.757232559            0.56961959130D-02
                 20.746462696           -0.21374063831
                 14.610796419            0.40502620616
            S    2   1.00
                 20.222637612           -0.83541883299D-01
                  6.4767324865           0.97910892388
            S    1   1.00
                  1.6600600927           1.0000000
            S    1   1.00
                  0.80431655001          1.0000000
            S    1   1.00
                  0.22627039020          1.0000000
            S    1   1.00
                  0.84014530665D-01      1.0000000
            S    1   1.00
                  0.28533321717D-01      1.0000000
            P    3   1.00
                 15.189102118            0.61952303583
                 14.693144415           -0.72498497086
                  6.8705890048           0.37680007984
            P    3   1.00
                  2.2021426123           0.40196284806
                  1.2209125119           0.46058131862
                  0.63367559815          0.19367655397
            P    1   1.00
                  0.28202837058          1.0000000
            P    1   1.00
                  0.11333375666          1.0000000
            P    1   1.00
                  0.43948707430D-01      1.0000000
            D    6   1.00
                 61.315369628            0.33870800787D-03
                 12.372195840            0.13788683942D-01
                  6.9254944983          -0.75979608103D-01
                  2.3319539939           0.28113784298
                  1.2108730003           0.44474512269
                  0.60090478506          0.35326874351
            D    1   1.00
                  0.28135869813          1.0000000
            D    1   1.00
                  0.11500000000          1.0000000
            D    1   1.00
                  0.40071342706D-01      1.0000000
            F    1   1.00
                  1.0000000              1.0000000
            F    1   1.00
                  0.2896200              1.0000000
            ****
            -Bi     0
            S    4   1.00
                716.41435310             0.31254307133D-03
                 83.806059047            0.17624768946D-02
                 21.116962853           -0.21910983437
                 15.491448187            0.40411224931
            S    2   1.00
                 23.239855029           -0.68255758685D-01
                  6.6474255000           0.97888046471
            S    1   1.00
                  1.7617744005           1.0000000
            S    1   1.00
                  0.87252866000          1.0000000
            S    1   1.00
                  0.25618895997          1.0000000
            S    1   1.00
                  0.97073913006D-01      1.0000000
            S    1   1.00
                  0.35808906242D-01      1.0000000
            P    3   1.00
                 15.249644669            0.74560356000
                 14.846176053           -0.85578637338
                  7.0636826784           0.40149159592
            P    3   1.00
                  2.5881255616           0.35542729633
                  1.5020208499           0.63976991890
                  0.76732724388          0.32332773839
            P    1   1.00
                  0.32797648982          1.0000000
            P    1   1.00
                  0.13820335991          1.0000000
            P    1   1.00
                  0.55137330969D-01      1.0000000
            D    6   1.00
                 66.404481948            0.38102878348D-03
                 13.858426961            0.10746152442D-01
                  7.0654519000          -0.71947646845D-01
                  2.5252144035           0.26195974989
                  1.3419585000           0.42594750000
                  0.68340941000          0.33680325627
            D    1   1.00
                  0.32934755420          1.0000000
            D    1   1.00
                  0.14000000000          1.0000000
            D    1   1.00
                  0.50194378647D-01      1.0000000
            F    1   1.00
                  1.0500000              1.0000000
            F    1   1.00
                  0.3127100              1.0000000
            ****
            -Po     0
            S    5   1.00
               6744.8211765              0.76891556363D-04
                744.41892532             0.71284827354D-03
                131.04029309             0.22057583958D-02
                 19.662021030           -0.64364713744
                 16.623025609            0.91997150546
            S    2   1.00
                 23.094002965           -0.70404410177D-01
                  6.9707398381           0.97886540086
            S    1   1.00
                  1.8497377593           1.0000000
            S    1   1.00
                  0.93082999263          1.0000000
            S    1   1.00
                  0.28673026462          1.0000000
            S    1   1.00
                  0.10979212169          1.0000000
            S    1   1.00
                  0.35812540416D-01      1.0000000
            P    4   1.00
                  8.9027395407          -0.13798250445
                  5.7414667465           0.26304005326
                  1.9896329823           0.66225846161
                  0.94703210822          0.39547051892
            P    3   1.00
                253.99024497             0.83876362116D-04
                  9.8712718748           0.24572710458
                  7.4489893496          -0.44297763661
            P    1   1.00
                  0.37071136280          1.0000000
            P    1   1.00
                  0.15554706086          1.0000000
            P    1   1.00
                  0.61173720818D-01      1.0000000
            P    1   1.00
                  0.19437729576D-01      1.0000000
            D    6   1.00
                 67.943077046            0.48919125336D-03
                 14.914219894            0.10157120776D-01
                  7.2973948305          -0.69943263066D-01
                  2.6826784400           0.26244730680
                  1.4374143009           0.42702361494
                  0.73903797417          0.32502435477
            D    1   1.00
                  0.35838153281          1.0000000
            D    1   1.00
                  0.15000000000          1.0000000
            D    1   1.00
                  0.51710661379D-01      1.0000000
            F    1   1.00
                  1.4000000              1.0000000
            F    1   1.00
                  0.3327500              1.0000000
            ****
            -At     0
            S    5   1.00
               3635.9809356              0.12571463494D-03
                537.64129823             0.75950883820D-03
                 91.600030756            0.25790982348D-02
                 20.200005804           -0.54772187699
                 16.893873824            0.78417507786
            S    2   1.00
                 18.177216938           -0.13023627002
                  7.2317852082           0.96473566747
            S    1   1.00
                  1.9496199739           1.0000000
            S    1   1.00
                  0.99226695236          1.0000000
            S    1   1.00
                  0.31957178881          1.0000000
            S    1   1.00
                  0.12342539809          1.0000000
            S    1   1.00
                  0.40936378211D-01      1.0000000
            P    4   1.00
                  8.9484156471          -0.15012953475
                  5.9694592464           0.27048141788
                  2.1099088209           0.63671217722
                  1.0236370373           0.38057472615
            P    3   1.00
                216.81518928             0.16975297090D-03
                 10.592298115            0.22683755793
                  7.4596585430          -0.47336848377
            P    1   1.00
                  0.42186356565          1.0000000
            P    1   1.00
                  0.17757132268          1.0000000
            P    1   1.00
                  0.69670886939D-01      1.0000000
            P    1   1.00
                  0.20397906578D-01      1.0000000
            D    6   1.00
                 70.619633393            0.59974022914D-03
                 16.212096478            0.93445952839D-02
                  7.3607401479          -0.70748413897D-01
                  2.9309052592           0.24037366077
                  1.6085414823           0.41841372624
                  0.84194162715          0.32832651044
            D    1   1.00
                  0.41335677957          1.0000000
            D    1   1.00
                  0.17400000000          1.0000000
            D    1   1.00
                  0.59789898654D-01      1.0000000
            F    1   1.00
                  1.8000000              1.0000000
            F    1   1.00
                  0.3740800              1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2TZVPD/14_bornylOAc_STD/Gau-213952.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2TZVPD/14_bornylOAc_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    213953.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                22-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=14_bornylOAc_STD_B3LYPDBJ-def2TZVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul 22 18:07:57 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "14_bornylOAc_STD_B3LYPDBJ-def2TZVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.240639000000     -1.220521000000     -1.593952000000
  C                                                -0.772379000000     -1.711714000000     -0.196556000000
  C                                                -1.356487000000      0.301932000000     -1.398559000000
  C                                                 0.077396000000      0.849484000000     -1.275021000000
  C                                                 0.495406000000      0.398364000000      0.144405000000
  C                                                -0.704790000000     -0.420476000000      0.653009000000
  H                                                -2.195583000000     -1.663465000000     -1.875848000000
  H                                                -0.528201000000     -1.466626000000     -2.381766000000
  H                                                 0.193323000000     -2.210778000000     -0.227221000000
  H                                                -1.481233000000     -2.413249000000      0.242895000000
  C                                                -1.888350000000      0.419572000000      0.056917000000
  H                                                -1.959508000000      0.805110000000     -2.154682000000
  H                                                 0.128882000000      1.932113000000     -1.369936000000
  H                                                 0.741881000000      0.427523000000     -2.028774000000
  H                                                 0.689863000000      1.251037000000      0.790022000000
  O                                                 1.689332000000     -0.414672000000      0.164040000000
  C                                                -0.691646000000     -0.656663000000      2.148773000000
  C                                                -3.263934000000     -0.215407000000      0.272245000000
  C                                                -1.976808000000      1.860613000000      0.570939000000
  H                                                 0.188258000000     -1.234779000000      2.438218000000
  H                                                -1.573690000000     -1.214726000000      2.468040000000
  H                                                -0.666490000000      0.284659000000      2.701973000000
  H                                                -3.312198000000     -1.262484000000     -0.016360000000
  H                                                -4.016543000000      0.322861000000     -0.308315000000
  H                                                -3.555175000000     -0.148366000000      1.322428000000
  H                                                -1.062281000000      2.434735000000      0.442068000000
  H                                                -2.228382000000      1.873406000000      1.633417000000
  H                                                -2.771733000000      2.392658000000      0.043778000000
  C                                                 2.862479000000      0.235712000000      0.052007000000
  C                                                 4.017566000000     -0.727490000000      0.101407000000
  O                                                 2.958317000000      1.430494000000     -0.072931000000
  H                                                 3.985571000000     -1.302060000000      1.027842000000
  H                                                 4.952347000000     -0.178454000000      0.034385000000
  H                                                 3.942814000000     -1.436137000000     -0.724719000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     34 NQM=       34 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1          16          12          12          12           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  12.0000000  12.0000000  12.0000000   1.0078250
 NucSpn=           0           1           1           1           1           0           0           0           0           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   3.6000000   3.6000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   6.0000000   6.0000000   6.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12          12
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000  12.0000000
 NucSpn=           1           1           1           1           1           1           1           1           0           0
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   6.0000000

  Atom        31          32          33          34
 IAtWgt=          16           1           1           1
 AtmWgt=  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1
 AtZEff=   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   8.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jul 22 18:07:57 2021, MaxMem=  5637144576 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.240639   -1.220521   -1.593952
      2          6           0       -0.772379   -1.711714   -0.196556
      3          6           0       -1.356487    0.301932   -1.398559
      4          6           0        0.077396    0.849484   -1.275021
      5          6           0        0.495406    0.398364    0.144405
      6          6           0       -0.704790   -0.420476    0.653009
      7          1           0       -2.195583   -1.663465   -1.875848
      8          1           0       -0.528201   -1.466626   -2.381766
      9          1           0        0.193323   -2.210778   -0.227221
     10          1           0       -1.481233   -2.413249    0.242895
     11          6           0       -1.888350    0.419572    0.056917
     12          1           0       -1.959508    0.805110   -2.154682
     13          1           0        0.128882    1.932113   -1.369936
     14          1           0        0.741881    0.427523   -2.028774
     15          1           0        0.689863    1.251037    0.790022
     16          8           0        1.689332   -0.414672    0.164040
     17          6           0       -0.691646   -0.656663    2.148773
     18          6           0       -3.263934   -0.215407    0.272245
     19          6           0       -1.976808    1.860613    0.570939
     20          1           0        0.188258   -1.234779    2.438218
     21          1           0       -1.573690   -1.214726    2.468040
     22          1           0       -0.666490    0.284659    2.701973
     23          1           0       -3.312198   -1.262484   -0.016360
     24          1           0       -4.016543    0.322861   -0.308315
     25          1           0       -3.555175   -0.148366    1.322428
     26          1           0       -1.062281    2.434735    0.442068
     27          1           0       -2.228382    1.873406    1.633417
     28          1           0       -2.771733    2.392658    0.043778
     29          6           0        2.862479    0.235712    0.052007
     30          6           0        4.017566   -0.727490    0.101407
     31          8           0        2.958317    1.430494   -0.072931
     32          1           0        3.985571   -1.302060    1.027842
     33          1           0        4.952347   -0.178454    0.034385
     34          1           0        3.942814   -1.436137   -0.724719
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.553465   0.000000
     3  C    1.539306   2.416767   0.000000
     4  C    2.474642   2.906018   1.539836   0.000000
     5  C    2.942197   2.485148   2.412373   1.546936   0.000000
     6  C    2.444594   1.547134   2.270576   2.437604   1.539366
     7  H    1.089763   2.201785   2.189674   3.441270   3.946389
     8  H    1.090315   2.212427   2.186447   2.637423   3.302650
     9  H    2.214680   1.087468   3.176107   3.236746   2.652731
    10  H    2.203291   1.089836   3.175239   3.921584   3.438309
    11  C    2.415534   2.419095   1.554068   2.413098   2.385455
    12  H    2.221345   3.402637   1.090204   2.219178   3.387897
    13  H    3.444542   3.932756   2.205591   1.088001   2.186311
    14  H    2.614480   3.197865   2.194560   1.089833   2.187306
    15  H    3.939387   3.448098   3.142966   2.191064   1.087054
    16  O    3.510649   2.805774   3.497463   2.503463   1.444601
    17  C    3.824568   2.572979   3.734231   3.818674   2.557277
    18  C    2.930302   2.943901   2.587968   3.833081   3.811259
    19  C    3.836937   3.847235   2.587123   2.941038   2.903781
    20  H    4.277890   2.844701   4.412321   4.259646   2.832503
    21  H    4.075627   2.826512   4.159088   4.582309   3.504639
    22  H    4.588048   3.521106   4.158216   4.085202   2.811420
    23  H    2.604211   2.585529   2.860538   4.187360   4.157176
    24  H    3.426446   3.831003   2.874886   4.239362   4.535233
    25  H    3.874515   3.534872   3.527147   4.575808   4.253688
    26  H    4.187850   4.205345   2.832545   2.600054   2.581046
    27  H    4.578639   4.280401   3.524572   3.850200   3.436848
    28  H    4.252231   4.571766   2.907644   3.498307   3.829038
    29  C    4.654608   4.131155   4.461861   3.145538   2.374453
    30  C    5.546714   4.899087   5.673628   4.461652   3.697973
    31  O    5.193517   4.879226   4.652792   3.175264   2.679264
    32  H    5.847540   4.930016   6.082581   5.020573   3.981602
    33  H    6.487716   5.930996   6.487333   5.151344   4.495458
    34  H    5.260251   4.752678   5.617609   4.524196   4.000674
                    6          7          8          9         10
     6  C    0.000000
     7  H    3.187884   0.000000
     8  H    3.214883   1.753528   0.000000
     9  H    2.187828   2.953709   2.390904   0.000000
    10  H    2.177660   2.358293   2.948425   1.751040   0.000000
    11  C    1.569019   2.858149   3.369707   3.366428   2.867962
    12  H    3.310515   2.495464   2.694623   4.176765   4.041653
    13  H    3.212785   4.311295   3.606520   4.298081   4.906716
    14  H    3.162897   3.608921   2.307707   3.241472   4.262945
    15  H    2.181235   4.891522   4.350817   3.642183   4.294182
    16  O    2.443552   4.562148   3.536268   2.370047   3.748735
    17  C    1.514354   4.412828   4.605273   2.973851   2.709504
    18  C    2.595429   2.802240   4.011678   4.022884   2.830087
    19  C    2.613070   4.295783   4.678402   4.682174   4.314986
    20  H    2.155828   4.947488   4.878454   2.838515   2.999239
    21  H    2.163367   4.411063   4.967607   3.373260   2.529086
    22  H    2.167242   5.204782   5.378710   3.942926   3.740264
    23  H    2.820569   2.205745   3.658888   3.637637   2.178051
    24  H    3.527662   3.117458   4.435087   4.914150   3.770667
    25  H    2.940554   3.791172   4.961999   4.550406   3.255199
    26  H    2.885225   4.842763   4.845606   4.858527   4.870127
    27  H    2.923085   4.982517   5.492552   5.099724   4.568062
    28  H    3.543605   4.524273   5.080430   5.482392   4.980139
    29  C    3.676574   5.736505   4.507540   3.631484   5.091293
    30  C    4.764364   6.587018   5.232253   4.114970   5.753138
    31  O    4.167905   6.275809   5.087222   4.574698   5.880792
    32  H    4.787189   6.838764   5.659209   4.096596   5.633545
    33  H    5.696005   7.546334   6.126465   5.181418   6.813864
    34  H    4.952769   6.249535   4.768303   3.860862   5.595651
                   11         12         13         14         15
    11  C    0.000000
    12  H    2.246080   0.000000
    13  H    2.897053   2.499467   0.000000
    14  H    3.356827   2.730554   1.753176   0.000000
    15  H    2.806414   3.986138   2.333234   2.937089   0.000000
    16  O    3.675221   4.492034   3.208658   2.532862   2.040926
    17  C    2.639364   4.718472   4.444811   4.547786   2.719208
    18  C    1.530293   2.938189   4.338179   4.664183   4.248654
    19  C    1.532528   2.922909   2.864618   4.025360   2.744215
    20  H    3.566479   5.465233   4.953258   4.798308   3.024473
    21  H    2.929753   5.059462   5.247038   5.317912   3.744249
    22  H    2.916756   5.052708   4.463985   4.938004   2.535574
    23  H    2.205000   3.267589   4.886579   4.831303   4.794219
    24  H    2.161470   2.805892   4.571792   5.060981   4.921190
    25  H    2.168497   3.942786   5.014927   5.479680   4.501348
    26  H    2.211699   3.194339   2.225951   3.659093   2.142947
    27  H    2.171315   3.945028   3.818412   4.932006   3.100776
    28  H    2.161853   2.830767   3.259487   4.527992   3.720595
    29  C    4.754388   5.333409   3.517421   2.977142   2.509146
    30  C    6.016442   6.569948   4.935605   4.074535   3.932222
    31  O    4.952677   5.376783   3.152705   3.121516   2.433675
    32  H    6.197553   7.064884   5.575237   4.780783   4.175710
    33  H    6.866824   7.316635   5.449076   4.727775   4.558860
    34  H    6.169042   6.473437   5.129083   3.926800   4.482972
                   16         17         18         19         20
    16  O    0.000000
    17  C    3.109145   0.000000
    18  C    4.958453   3.214456   0.000000
    19  C    4.333944   3.236955   2.460848   0.000000
    20  H    2.845643   1.091892   4.200975   4.213751   0.000000
    21  H    4.073796   1.091498   2.945688   3.635823   1.762314
    22  H    3.532714   1.092131   3.591707   2.956665   1.763194
    23  H    5.076084   3.452841   1.087195   3.447016   4.275385
    24  H    5.772702   4.248728   1.092338   2.701534   5.258330
    25  H    5.377512   3.023410   1.091879   2.663076   4.054451
    26  H    3.970868   3.550627   3.449546   1.087467   4.360481
    27  H    4.768947   3.004729   2.699685   1.091931   4.018540
    28  H    5.272254   4.249250   2.663919   1.092189   5.258630
    29  C    1.346040   4.221915   6.146946   5.131110   3.873991
    30  C    2.349990   5.135504   7.301483   6.546087   4.514602
    31  O    2.251914   4.755462   6.445506   4.995501   4.591598
    32  H    2.608893   4.852771   7.369333   6.764704   4.051330
    33  H    3.274122   6.045989   8.219806   7.242850   5.439741
    34  H    2.628966   5.508426   7.377082   6.898494   4.913391
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.768019   0.000000
    23  H    3.032645   4.096676   0.000000
    24  H    4.004978   4.504015   1.759164   0.000000
    25  H    2.525041   3.230349   1.758593   1.759045   0.000000
    26  H    4.205314   3.144304   4.352208   3.708200   3.696210
    27  H    3.265238   2.470918   3.705432   3.061378   2.438166
    28  H    4.508389   3.992707   3.695373   2.440816   2.950514
    29  C    5.255529   4.413427   6.354203   6.889004   6.553455
    30  C    6.091018   5.452318   7.350206   8.112830   7.692378
    31  O    5.830335   4.706618   6.824565   7.066182   6.845831
    32  H    5.743447   5.192501   7.372202   8.274026   7.634176
    33  H    7.041711   6.237133   8.335490   8.989424   8.604527
    34  H    6.377660   5.995752   7.291579   8.162036   7.878388
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.759032   0.000000
    28  H    1.755742   1.758353   0.000000
    29  C    4.515705   5.576716   6.032978   0.000000
    30  C    5.993377   6.937116   7.472163   1.504800   0.000000
    31  O    4.175995   5.478106   5.811442   1.205113   2.410248
    32  H    6.307740   7.004535   7.764051   2.139704   1.090613
    33  H    6.570442   7.637402   8.140769   2.130585   1.086162
    34  H    6.433974   7.389015   7.767587   2.136704   1.090987
                   31         32         33         34
    31  O    0.000000
    32  H    3.119904   0.000000
    33  H    2.564447   1.784406   0.000000
    34  H    3.100264   1.758202   1.782460   0.000000
 Stoichiometry    C12H20O2
 Framework group  C1[X(C12H20O2)]
 Deg. of freedom    96
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.09D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.240639   -1.220521   -1.593952
      2          6           0       -0.772379   -1.711714   -0.196556
      3          6           0       -1.356487    0.301932   -1.398559
      4          6           0        0.077396    0.849484   -1.275021
      5          6           0        0.495406    0.398364    0.144405
      6          6           0       -0.704790   -0.420476    0.653009
      7          1           0       -2.195583   -1.663465   -1.875848
      8          1           0       -0.528201   -1.466626   -2.381766
      9          1           0        0.193323   -2.210778   -0.227221
     10          1           0       -1.481233   -2.413249    0.242895
     11          6           0       -1.888350    0.419572    0.056917
     12          1           0       -1.959508    0.805110   -2.154682
     13          1           0        0.128882    1.932113   -1.369936
     14          1           0        0.741881    0.427523   -2.028774
     15          1           0        0.689863    1.251037    0.790022
     16          8           0        1.689332   -0.414672    0.164040
     17          6           0       -0.691646   -0.656663    2.148773
     18          6           0       -3.263934   -0.215407    0.272245
     19          6           0       -1.976808    1.860613    0.570939
     20          1           0        0.188258   -1.234779    2.438218
     21          1           0       -1.573690   -1.214726    2.468040
     22          1           0       -0.666490    0.284659    2.701973
     23          1           0       -3.312198   -1.262484   -0.016360
     24          1           0       -4.016543    0.322861   -0.308315
     25          1           0       -3.555175   -0.148366    1.322428
     26          1           0       -1.062281    2.434735    0.442068
     27          1           0       -2.228382    1.873406    1.633417
     28          1           0       -2.771733    2.392658    0.043778
     29          6           0        2.862479    0.235712    0.052007
     30          6           0        4.017566   -0.727490    0.101407
     31          8           0        2.958317    1.430494   -0.072931
     32          1           0        3.985571   -1.302060    1.027842
     33          1           0        4.952347   -0.178454    0.034385
     34          1           0        3.942814   -1.436137   -0.724719
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.2924380           0.4724883           0.4648286
 Leave Link  202 at Thu Jul 22 18:07:57 2021, MaxMem=  5637144576 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       7      8      9     10     12     13     14     15     20     21
 Centers:      22     23     24     25     26     27     28     32     33     34
 S 3 1.00
     Exponent=  3.4061341000D+01 Coefficients=  6.0251978000D-03
     Exponent=  5.1235746000D+00 Coefficients=  4.5021094000D-02
     Exponent=  1.1646626000D+00 Coefficients=  2.0189726000D-01
 S 1 1.00
     Exponent=  3.2723041000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.0307241000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  9.5774129632D-02 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6     11     17     18     19
 Centers:      29     30
 S 6 1.00
     Exponent=  1.3575349682D+04 Coefficients=  2.2245814352D-04
     Exponent=  2.0352333680D+03 Coefficients=  1.7232738252D-03
     Exponent=  4.6322562359D+02 Coefficients=  8.9255715314D-03
     Exponent=  1.3120019598D+02 Coefficients=  3.5727984502D-02
     Exponent=  4.2853015891D+01 Coefficients=  1.1076259931D-01
     Exponent=  1.5584185766D+01 Coefficients=  2.4295627626D-01
 S 2 1.00
     Exponent=  6.2067138508D+00 Coefficients=  4.1440263448D-01
     Exponent=  2.5764896527D+00 Coefficients=  2.3744968655D-01
 S 1 1.00
     Exponent=  5.7696339419D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.2972831358D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.5164440028D-02 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.8475401370D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  3.4697232244D+01 Coefficients=  5.3333657805D-03
     Exponent=  7.9582622826D+00 Coefficients=  3.5864109092D-02
     Exponent=  2.3780826883D+00 Coefficients=  1.4215873329D-01
     Exponent=  8.1433208183D-01 Coefficients=  3.4270471845D-01
 P 1 1.00
     Exponent=  2.8887547253D-01 Coefficients=  4.6445822433D-01
 P 1 1.00
     Exponent=  1.0056823671D-01 Coefficients=  2.4955789874D-01
 D 1 1.00
     Exponent=  1.0970000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.1800000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  9.0985336424D-02 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  7.6100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      16     31
 S 6 1.00
     Exponent=  2.7032382631D+04 Coefficients=  2.1726302465D-04
     Exponent=  4.0523871392D+03 Coefficients=  1.6838662199D-03
     Exponent=  9.2232722710D+02 Coefficients=  8.7395616265D-03
     Exponent=  2.6124070989D+02 Coefficients=  3.5239968808D-02
     Exponent=  8.5354641351D+01 Coefficients=  1.1153519115D-01
     Exponent=  3.1035035245D+01 Coefficients=  2.5588953961D-01
 S 2 1.00
     Exponent=  1.2260860728D+01 Coefficients=  3.9768730901D-01
     Exponent=  4.9987076005D+00 Coefficients=  2.4627849430D-01
 S 1 1.00
     Exponent=  1.1703108158D+00 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6474740994D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8504536357D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.0288026270D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  6.3274954801D+01 Coefficients=  6.0685103418D-03
     Exponent=  1.4627049379D+01 Coefficients=  4.1912575824D-02
     Exponent=  4.4501223456D+00 Coefficients=  1.6153841088D-01
     Exponent=  1.5275799647D+00 Coefficients=  3.5706951311D-01
 P 1 1.00
     Exponent=  5.2935117943D-01 Coefficients=  4.4794207502D-01
 P 1 1.00
     Exponent=  1.7478421270D-01 Coefficients=  2.4446069663D-01
 P 1 1.00
     Exponent=  5.1112745706D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3140000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  6.4500000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.4696477366D-01 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  1.4280000000D+00 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   788 symmetry adapted cartesian basis functions of A   symmetry.
 There are   704 symmetry adapted basis functions of A   symmetry.
   704 basis functions,  1038 primitive gaussians,   788 cartesian basis functions
    54 alpha electrons       54 beta electrons
       nuclear repulsion energy      1014.9172554271 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   34 NActive=   34 NUniq=   34 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0670990541 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1014.8501563731 Hartrees.
 Leave Link  301 at Thu Jul 22 18:07:58 2021, MaxMem=  5637144576 cpu:               5.3 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   704 RedAO= T EigKep=  1.20D-06  NBF=   704
 NBsUse=   700 1.00D-06 EigRej=  8.99D-07 NBFU=   700
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   785   784   785   785   785 MxSgAt=    34 MxSgA2=    34.
 Leave Link  302 at Thu Jul 22 18:07:59 2021, MaxMem=  5637144576 cpu:               8.5 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul 22 18:07:59 2021, MaxMem=  5637144576 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "14_bornylOAc_STD_B3LYPDBJ-def2TZVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul 22 18:08:01 2021, MaxMem=  5637144576 cpu:              11.8 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5635889442 LenY=  5635267710
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 940000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -620.089627592784    
 DIIS: error= 1.51D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -620.089627592784     IErMin= 1 ErrMin= 1.51D-03
 ErrMax= 1.51D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.42D-03 BMatP= 4.42D-03
 IDIUse=3 WtCom= 9.85D-01 WtEn= 1.51D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.282 Goal=   None    Shift=    0.000
 GapD=    0.282 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=7.42D-03 MaxDP=7.95D-01              OVMax= 1.27D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.42D-03    CP:  1.03D+00
 E= -620.091746995359     Delta-E=       -0.002119402575 Rises=F Damp=F
 DIIS: error= 4.59D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -620.091746995359     IErMin= 2 ErrMin= 4.59D-05
 ErrMax= 4.59D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.87D-06 BMatP= 4.42D-03
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.831D-02 0.101D+01
 Coeff:     -0.831D-02 0.101D+01
 Gap=     0.274 Goal=   None    Shift=    0.000
 RMSDP=3.28D-04 MaxDP=5.20D-02 DE=-2.12D-03 OVMax= 1.32D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.53D-04    CP:  1.04D+00  1.04D+00
 E= -620.091746949281     Delta-E=        0.000000046078 Rises=F Damp=F
 DIIS: error= 9.24D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -620.091746995359     IErMin= 2 ErrMin= 4.59D-05
 ErrMax= 9.24D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.14D-05 BMatP= 5.87D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.582D-02 0.603D+00 0.403D+00
 Coeff:     -0.582D-02 0.603D+00 0.403D+00
 Gap=     0.273 Goal=   None    Shift=    0.000
 RMSDP=8.69D-06 MaxDP=1.21D-03 DE= 4.61D-08 OVMax= 7.43D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  6.76D-06    CP:  1.04D+00  1.04D+00  1.02D+00
 E= -620.091754573122     Delta-E=       -0.000007623842 Rises=F Damp=F
 DIIS: error= 2.47D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -620.091754573122     IErMin= 4 ErrMin= 2.47D-05
 ErrMax= 2.47D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.00D-07 BMatP= 5.87D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.204D-02 0.193D+00 0.211D+00 0.598D+00
 Coeff:     -0.204D-02 0.193D+00 0.211D+00 0.598D+00
 Gap=     0.273 Goal=   None    Shift=    0.000
 RMSDP=5.68D-06 MaxDP=9.57D-04 DE=-7.62D-06 OVMax= 1.92D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.67D-06    CP:  1.04D+00  1.04D+00  1.04D+00  1.21D+00
 E= -620.091754873651     Delta-E=       -0.000000300529 Rises=F Damp=F
 DIIS: error= 1.12D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -620.091754873651     IErMin= 5 ErrMin= 1.12D-05
 ErrMax= 1.12D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.93D-07 BMatP= 6.00D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.130D-03 0.153D-03 0.556D-01 0.405D+00 0.539D+00
 Coeff:     -0.130D-03 0.153D-03 0.556D-01 0.405D+00 0.539D+00
 Gap=     0.273 Goal=   None    Shift=    0.000
 RMSDP=2.45D-06 MaxDP=2.73D-04 DE=-3.01D-07 OVMax= 9.44D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.36D-06    CP:  1.04D+00  1.04D+00  1.05D+00  1.24D+00  9.34D-01
 E= -620.091755011057     Delta-E=       -0.000000137406 Rises=F Damp=F
 DIIS: error= 2.61D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -620.091755011057     IErMin= 6 ErrMin= 2.61D-06
 ErrMax= 2.61D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.60D-08 BMatP= 1.93D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.612D-04-0.133D-01 0.212D-01 0.212D+00 0.335D+00 0.445D+00
 Coeff:      0.612D-04-0.133D-01 0.212D-01 0.212D+00 0.335D+00 0.445D+00
 Gap=     0.273 Goal=   None    Shift=    0.000
 RMSDP=3.68D-07 MaxDP=1.99D-05 DE=-1.37D-07 OVMax= 2.31D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.08D-07    CP:  1.04D+00  1.04D+00  1.05D+00  1.24D+00  9.64D-01
                    CP:  1.03D+00
 E= -620.091755023200     Delta-E=       -0.000000012143 Rises=F Damp=F
 DIIS: error= 3.70D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -620.091755023200     IErMin= 7 ErrMin= 3.70D-07
 ErrMax= 3.70D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.74D-10 BMatP= 1.60D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.259D-04-0.420D-02 0.470D-02 0.432D-01 0.734D-01 0.141D+00
 Coeff-Com:  0.742D+00
 Coeff:      0.259D-04-0.420D-02 0.470D-02 0.432D-01 0.734D-01 0.141D+00
 Coeff:      0.742D+00
 Gap=     0.273 Goal=   None    Shift=    0.000
 RMSDP=9.20D-08 MaxDP=6.62D-06 DE=-1.21D-08 OVMax= 2.15D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  7.75D-08    CP:  1.04D+00  1.04D+00  1.05D+00  1.24D+00  9.72D-01
                    CP:  1.04D+00  1.06D+00
 E= -620.091755023347     Delta-E=       -0.000000000147 Rises=F Damp=F
 DIIS: error= 7.79D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -620.091755023347     IErMin= 8 ErrMin= 7.79D-08
 ErrMax= 7.79D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.87D-12 BMatP= 1.74D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.528D-05-0.688D-03 0.556D-03 0.363D-02 0.617D-02 0.239D-01
 Coeff-Com:  0.228D+00 0.738D+00
 Coeff:      0.528D-05-0.688D-03 0.556D-03 0.363D-02 0.617D-02 0.239D-01
 Coeff:      0.228D+00 0.738D+00
 Gap=     0.273 Goal=   None    Shift=    0.000
 RMSDP=2.71D-08 MaxDP=3.81D-06 DE=-1.47D-10 OVMax= 5.59D-07

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.76D-08    CP:  1.04D+00  1.04D+00  1.05D+00  1.24D+00  9.74D-01
                    CP:  1.05D+00  1.06D+00  9.43D-01
 E= -620.091755023368     Delta-E=       -0.000000000021 Rises=F Damp=F
 DIIS: error= 2.68D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -620.091755023368     IErMin= 9 ErrMin= 2.68D-08
 ErrMax= 2.68D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.75D-12 BMatP= 7.87D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.264D-06 0.324D-04-0.141D-03-0.181D-02-0.345D-02 0.125D-03
 Coeff-Com:  0.503D-01 0.363D+00 0.592D+00
 Coeff:      0.264D-06 0.324D-04-0.141D-03-0.181D-02-0.345D-02 0.125D-03
 Coeff:      0.503D-01 0.363D+00 0.592D+00
 Gap=     0.273 Goal=   None    Shift=    0.000
 RMSDP=8.34D-09 MaxDP=1.30D-06 DE=-2.11D-11 OVMax= 2.47D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  5.55D-09    CP:  1.04D+00  1.04D+00  1.05D+00  1.24D+00  9.74D-01
                    CP:  1.05D+00  1.07D+00  9.57D-01  8.65D-01
 E= -620.091755023305     Delta-E=        0.000000000063 Rises=F Damp=F
 DIIS: error= 9.19D-09 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -620.091755023368     IErMin=10 ErrMin= 9.19D-09
 ErrMax= 9.19D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.42D-13 BMatP= 1.75D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.316D-06 0.709D-04-0.124D-03-0.102D-02-0.203D-02-0.175D-02
 Coeff-Com:  0.298D-02 0.944D-01 0.270D+00 0.637D+00
 Coeff:     -0.316D-06 0.709D-04-0.124D-03-0.102D-02-0.203D-02-0.175D-02
 Coeff:      0.298D-02 0.944D-01 0.270D+00 0.637D+00
 Gap=     0.273 Goal=   None    Shift=    0.000
 RMSDP=2.55D-09 MaxDP=2.95D-07 DE= 6.34D-11 OVMax= 7.04D-08

 SCF Done:  E(RB3LYP) =  -620.091755023     A.U. after   10 cycles
            NFock= 10  Conv=0.25D-08     -V/T= 2.0052
 KE= 6.168628620932D+02 PE=-3.472593678933D+03 EE= 1.220788905444D+03
 Leave Link  502 at Thu Jul 22 18:21:52 2021, MaxMem=  5637144576 cpu:            6626.7 elap:             830.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   700
 NBasis=   704 NAE=    54 NBE=    54 NFC=     0 NFV=     0
 NROrb=    700 NOA=    54 NOB=    54 NVA=   646 NVB=   646

 **** Warning!!: The largest alpha MO coefficient is  0.16709243D+03

 Leave Link  801 at Thu Jul 22 18:21:52 2021, MaxMem=  5637144576 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10413 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          34
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 5.81D-13 8.33D-09 XBig12= 1.00D+00 1.76D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 5.81D-13 8.33D-09 XBig12= 3.68D-01 1.05D-01.
     11 vectors produced by pass  2 Test12= 5.81D-13 8.33D-09 XBig12= 8.93D-02 3.36D-02.
     11 vectors produced by pass  3 Test12= 5.81D-13 8.33D-09 XBig12= 5.62D-03 7.63D-03.
     11 vectors produced by pass  4 Test12= 5.81D-13 8.33D-09 XBig12= 8.90D-04 3.00D-03.
     11 vectors produced by pass  5 Test12= 5.81D-13 8.33D-09 XBig12= 1.81D-04 1.47D-03.
     11 vectors produced by pass  6 Test12= 5.81D-13 8.33D-09 XBig12= 9.11D-06 2.25D-04.
     11 vectors produced by pass  7 Test12= 5.81D-13 8.33D-09 XBig12= 2.20D-07 3.56D-05.
     11 vectors produced by pass  8 Test12= 5.81D-13 8.33D-09 XBig12= 3.49D-09 4.44D-06.
     11 vectors produced by pass  9 Test12= 5.81D-13 8.33D-09 XBig12= 8.57D-11 6.18D-07.
      6 vectors produced by pass 10 Test12= 5.81D-13 8.33D-09 XBig12= 1.25D-12 8.04D-08.
      1 vectors produced by pass 11 Test12= 5.81D-13 8.33D-09 XBig12= 2.36D-14 9.68D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 7.11D-14
 Solved reduced A of dimension   117 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.167588D+03
      2 -0.246442D+01  0.140167D+03
      3 -0.728876D+00 -0.428191D+00  0.134287D+03
 Isotropic polarizability for W=    0.085645      147.35 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.343409D+01  0.219608D+01 -0.754995D+00
      2   0.696150D+01  0.647083D+01 -0.115225D+02
      3  -0.352741D+01 -0.866691D+01  0.122775D+02
      4  -0.128658D+02 -0.516973D+02 -0.134509D+02
      5   0.687618D+01 -0.124043D+02 -0.104534D+03
      6  -0.527942D+01  0.141884D+01 -0.335999D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.254952D+00  0.669064D+00  0.811422D+01
      2  -0.117331D+00 -0.462248D+01 -0.500120D+02
      3  -0.324649D+01  0.229065D+02  0.365767D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.104663D+01  0.129414D+02  0.249330D+02
      2  -0.763118D+01 -0.817150D+01 -0.101007D+03
      3  -0.150619D+02  0.586588D+02  0.712488D+01
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.220752D+00  0.525842D+00  0.169549D-01
      2   0.525842D+00 -0.341519D+00  0.148288D+01
      3   0.169549D-01  0.148288D+01 -0.657498D+00
 OR G Eigenvalues:    -2.0553    -0.2808     1.1163  Iso=     0.4066
 Eigenvectors:
   (1)   0.186873  -0.674967   0.713792
   (2)   0.936886  -0.096113  -0.336165
   (3)   0.295505   0.731562   0.614406
 w=    0.085645 a.u., Optical Rotation Beta=      0.4066 au.
 Molar Mass =    196.2888 grams/mole, [Alpha] ( 5320.0 A) =       98.24 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  248160 ScalPx= 1.96D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  248160 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 9.37D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 9.69D-14 2.78D-09 XBig12= 1.00D+00 3.15D-01.
     30 vectors produced by pass  1 Test12= 9.69D-14 2.78D-09 XBig12= 6.69D-02 2.71D-02.
     30 vectors produced by pass  2 Test12= 9.69D-14 2.78D-09 XBig12= 2.54D-03 4.54D-03.
     30 vectors produced by pass  3 Test12= 9.69D-14 2.78D-09 XBig12= 8.43D-05 1.02D-03.
     30 vectors produced by pass  4 Test12= 9.69D-14 2.78D-09 XBig12= 7.34D-07 1.33D-04.
     30 vectors produced by pass  5 Test12= 9.69D-14 2.78D-09 XBig12= 9.83D-09 7.22D-06.
     30 vectors produced by pass  6 Test12= 9.69D-14 2.78D-09 XBig12= 7.06D-11 6.01D-07.
     28 vectors produced by pass  7 Test12= 9.69D-14 2.78D-09 XBig12= 3.39D-13 3.66D-08.
      1 vectors produced by pass  8 Test12= 9.69D-14 2.78D-09 XBig12= 3.49D-15 3.55D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   239 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  248160 ScalPx= 2.43D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  248160 ScalPx= 2.43D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  248160 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.49D+04
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.167588D+03 -0.246442D+01 -0.728876D+00
      2  -0.246442D+01  0.140167D+03 -0.428191D+00
      3  -0.728876D+00 -0.428191D+00  0.134287D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.254952D+00  0.669064D+00  0.811422D+01
      2  -0.117331D+00 -0.462248D+01 -0.500120D+02
      3  -0.324649D+01  0.229065D+02  0.365767D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.343409D+01  0.219608D+01 -0.754995D+00
      2   0.696150D+01  0.647083D+01 -0.115225D+02
      3  -0.352741D+01 -0.866691D+01  0.122775D+02
      4  -0.128658D+02 -0.516973D+02 -0.134509D+02
      5   0.687618D+01 -0.124043D+02 -0.104534D+03
      6  -0.527942D+01  0.141884D+01 -0.335999D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   102 ND12= 1 LenFil=    3675:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.287797D+01  0.315735D+01  0.356211D+01  0.235959D+01  0.800066D+00
      2   0.315735D+01  0.883304D+00  0.187594D+00  0.800066D+00 -0.320681D+01
      3   0.356211D+01  0.187594D+00 -0.373346D+01  0.691013D+00  0.901724D-01
                 6             7             8             9            10 
      1   0.691013D+00  0.186851D+01  0.522808D+00 -0.314704D+01 -0.265864D+01
      2   0.901724D-01  0.522808D+00 -0.290627D-01  0.293700D+01  0.427995D+01
      3   0.252725D+01 -0.314704D+01  0.293700D+01  0.571303D+00 -0.134705D+01
                11            12            13            14            15 
      1   0.427995D+01 -0.134705D+01  0.344290D+01  0.366944D-01 -0.147738D+01
      2  -0.942523D-01 -0.144853D+01  0.366944D-01  0.376287D+00 -0.329574D+01
      3  -0.144853D+01  0.210462D+01 -0.147738D+01 -0.329574D+01 -0.316124D+01
                16            17            18            19            20 
      1  -0.749910D+00 -0.172050D+01  0.139853D+01 -0.104620D+01 -0.372799D+01
      2  -0.172050D+01 -0.284822D+01 -0.148482D+01 -0.372799D+01  0.471604D+00
      3   0.139853D+01 -0.148482D+01  0.202613D+01  0.515125D+00 -0.127926D+01
                21            22            23            24            25 
      1   0.515125D+00 -0.417094D+01  0.495178D+00 -0.162488D+01 -0.676947D+00
      2  -0.127926D+01  0.495178D+00  0.373533D+01  0.239660D+01 -0.121267D+01
      3   0.491355D+01 -0.162488D+01  0.239660D+01 -0.238160D+01  0.625741D+01
                26            27            28            29            30 
      1  -0.121267D+01  0.625741D+01  0.756694D+00  0.185140D+01  0.161943D+01
      2   0.734496D+00 -0.367428D+01  0.185140D+01 -0.225065D+00  0.112106D+00
      3  -0.367428D+01 -0.135819D+01  0.161943D+01  0.112106D+00 -0.350335D+01
                31            32            33            34            35 
      1   0.288086D+01 -0.993177D+00 -0.246665D+00 -0.222695D+00  0.411926D+00
      2  -0.993177D+00 -0.513135D+01  0.124941D+01  0.411926D+00  0.406933D+00
      3  -0.246665D+00  0.124941D+01  0.241365D+01 -0.392410D+01  0.183179D+01
                36            37            38            39            40 
      1  -0.392410D+01 -0.573416D+01  0.153045D+01 -0.144228D+01  0.236815D+01
      2   0.183179D+01  0.153045D+01  0.935771D+00 -0.125299D+01 -0.271612D+00
      3  -0.400102D+00 -0.144228D+01 -0.125299D+01  0.346135D+01 -0.114423D+01
                41            42            43            44            45 
      1  -0.271612D+00 -0.114423D+01  0.806975D+00 -0.788280D+00  0.132085D+01
      2  -0.895398D+00 -0.243459D+01 -0.788280D+00 -0.162398D+01 -0.177591D+01
      3  -0.243459D+01 -0.283355D+01  0.132085D+01 -0.177591D+01  0.165143D+01
                46            47            48            49            50 
      1   0.260804D+01 -0.486619D+01  0.325361D+01 -0.675763D+01  0.112121D+01
      2  -0.486619D+01  0.141192D+01  0.541713D+00  0.112121D+01  0.403982D+00
      3   0.325361D+01  0.541713D+00  0.777329D+00  0.464572D+00  0.396245D+01
                51            52            53            54            55 
      1   0.464572D+00  0.391874D+01 -0.260256D+00  0.117173D-01 -0.578097D+01
      2   0.396245D+01 -0.260256D+00  0.469678D+01  0.188729D+01 -0.278396D+01
      3   0.144794D+01  0.117173D-01  0.188729D+01 -0.414717D+01 -0.280047D+01
                56            57            58            59            60 
      1  -0.278396D+01 -0.280047D+01 -0.220676D+01 -0.200721D+01 -0.118487D+01
      2  -0.258170D+01 -0.163602D+01 -0.200721D+01 -0.202868D+01 -0.129546D+01
      3  -0.163602D+01 -0.240771D+01 -0.118487D+01 -0.129546D+01 -0.148176D+01
                61            62            63            64            65 
      1  -0.164623D+01 -0.100944D+01 -0.150005D+01  0.195666D+01 -0.125781D+01
      2  -0.100944D+01 -0.917805D+00 -0.134170D+01 -0.125781D+01  0.143794D+01
      3  -0.150005D+01 -0.134170D+01 -0.197879D+01 -0.252630D+01  0.141630D+01
                66            67            68            69            70 
      1  -0.252630D+01 -0.647527D+00  0.649354D+00  0.376772D+00 -0.176760D+01
      2   0.141630D+01  0.649354D+00 -0.105900D+01 -0.143748D+01  0.645016D+00
      3   0.394526D+01  0.376772D+00 -0.143748D+01 -0.164487D+01  0.222078D+01
                71            72            73            74            75 
      1   0.645016D+00  0.222078D+01  0.551951D+01 -0.296232D+01  0.290757D+00
      2  -0.171953D+01 -0.241732D+01 -0.296232D+01  0.354117D+01  0.273339D+00
      3  -0.241732D+01 -0.639848D+01  0.290757D+00  0.273339D+00  0.838654D+00
                76            77            78            79            80 
      1  -0.213707D+01  0.219781D+01  0.216491D+00  0.122501D+00  0.211218D+00
      2   0.219781D+01 -0.326908D+01  0.244876D+00  0.211218D+00  0.253257D+00
      3   0.216491D+00  0.244876D+00 -0.317960D+00  0.615938D+00 -0.584742D+00
                81            82            83            84            85 
      1   0.615938D+00 -0.249165D+01 -0.238827D+01  0.918335D+00 -0.207839D+01
      2  -0.584742D+00 -0.238827D+01 -0.311305D+01  0.997648D+00 -0.219194D+01
      3  -0.139497D+00  0.918335D+00  0.997648D+00 -0.142081D+01  0.664423D+00
                86            87            88            89            90 
      1  -0.219194D+01  0.664423D+00  0.100724D+01  0.109468D+01 -0.103566D+01
      2  -0.520055D+01  0.170372D+01  0.109468D+01  0.237721D+01 -0.129642D+01
      3   0.170372D+01 -0.106119D+01 -0.103566D+01 -0.129642D+01  0.124891D+01
                91            92            93            94            95 
      1  -0.151457D+01  0.601991D+01 -0.237950D+01  0.731377D+01 -0.558365D+00
      2   0.601991D+01 -0.173128D+01  0.102584D+01 -0.558365D+00 -0.388449D+01
      3  -0.237950D+01  0.102584D+01 -0.510180D+01  0.122399D+01 -0.379695D+01
                96            97            98            99           100 
      1   0.122399D+01 -0.166541D+01  0.753639D+00 -0.430981D+01 -0.335350D+01
      2  -0.379695D+01  0.753639D+00 -0.313890D+01  0.106908D+01  0.187138D+01
      3   0.167260D+01 -0.430981D+01  0.106908D+01  0.484762D+01 -0.288218D+01
               101           102           103           104           105 
      1   0.187138D+01 -0.288218D+01  0.205421D+01 -0.146279D+01  0.140305D+01
      2  -0.140875D+01  0.138429D+01 -0.146279D+01  0.194750D+01 -0.236130D+01
      3   0.138429D+01 -0.349349D+01  0.140305D+01 -0.236130D+01  0.263682D+01
               106           107           108           109           110 
      1  -0.211338D+01  0.926923D+00 -0.313315D+01  0.363582D+00  0.906774D+00
      2   0.926923D+00 -0.175317D+01  0.230611D+01  0.906774D+00  0.427586D+00
      3  -0.313315D+01  0.230611D+01 -0.575574D+01 -0.270510D+00 -0.156591D+00
               111           112           113           114           115 
      1  -0.270510D+00  0.149448D+01  0.930565D+00 -0.253138D+00  0.235719D-01
      2  -0.156591D+00  0.930565D+00  0.800286D+01 -0.214639D+01 -0.171822D+00
      3   0.285997D+00 -0.253138D+00 -0.214639D+01  0.173027D+01  0.421374D+00
               116           117           118           119           120 
      1  -0.171822D+00  0.421374D+00  0.347006D+01 -0.490524D+00 -0.234478D+01
      2  -0.110272D+01  0.112366D+01 -0.490524D+00  0.534145D+00  0.121188D+00
      3   0.112366D+01 -0.835274D+00 -0.234478D+01  0.121188D+00  0.290222D+01
               121           122           123           124           125 
      1  -0.179304D+01  0.577187D+00  0.883281D+00 -0.287756D+01  0.504472D-01
      2   0.577187D+00 -0.514481D-01 -0.983901D+00  0.504472D-01 -0.920015D+00
      3   0.883281D+00 -0.983901D+00 -0.172926D+01  0.270244D+01 -0.430585D+00
               126           127           128           129           130 
      1   0.270244D+01  0.212746D+01  0.825187D+00  0.102153D+01  0.252427D+01
      2  -0.430585D+00  0.825187D+00  0.195067D+00  0.339536D+00  0.855300D-01
      3  -0.471658D+01  0.102153D+01  0.339536D+00  0.275464D+00  0.441956D+00
               131           132           133           134           135 
      1   0.855300D-01  0.441956D+00  0.142096D+01  0.436541D+00  0.192789D+00
      2   0.316019D+01  0.178193D+01  0.436541D+00  0.185668D+01  0.167354D+01
      3   0.178193D+01  0.219494D+01  0.192789D+00  0.167354D+01  0.240767D+01
               136           137           138           139           140 
      1  -0.549638D+00 -0.234186D+01  0.582669D+00 -0.571527D+01  0.268903D+00
      2  -0.234186D+01 -0.135968D+01 -0.163895D+00  0.268903D+00 -0.181415D+01
      3   0.582669D+00 -0.163895D+00 -0.190974D+01  0.619300D-01  0.600068D+00
               141           142           143           144           145 
      1   0.619300D-01  0.565862D+00 -0.184064D+00 -0.526161D+00 -0.227781D+00
      2   0.600068D+00 -0.184064D+00  0.141821D+00 -0.644992D+00  0.466904D+01
      3  -0.278780D+00 -0.526161D+00 -0.644992D+00  0.396142D+00 -0.357753D+01
               146           147           148           149           150 
      1   0.466904D+01 -0.357753D+01  0.474654D+01 -0.307322D+00 -0.248887D+00
      2  -0.297336D+00 -0.182615D+00 -0.307322D+00 -0.125534D+01 -0.437927D+01
      3  -0.182615D+00 -0.275033D+00 -0.248887D+00 -0.437927D+01 -0.180190D+01
               151           152           153           154           155 
      1  -0.298535D+01  0.280633D-02  0.242510D-01  0.200490D-01 -0.406917D+01
      2   0.280633D-02 -0.334901D+01 -0.172922D+01 -0.406917D+01  0.441823D+00
      3   0.242510D-01 -0.172922D+01  0.282233D+01  0.211402D+01 -0.721565D+00
               156           157           158           159           160 
      1   0.211402D+01 -0.499456D+01  0.118063D+01 -0.871217D+00  0.242479D+01
      2  -0.721565D+00  0.118063D+01  0.441018D+01  0.230385D+01 -0.851170D+00
      3   0.300636D+01 -0.871217D+00  0.230385D+01 -0.820000D+00  0.433386D+01
               161           162           163           164           165 
      1  -0.851170D+00  0.433386D+01 -0.187711D+00 -0.534950D+01  0.158948D+01
      2   0.239220D+01 -0.638943D+00 -0.534950D+01  0.417743D+00 -0.991680D+00
      3  -0.638943D+00 -0.468477D+01  0.158948D+01 -0.991680D+00  0.244099D+01
               166           167           168           169           170 
      1  -0.482343D+01 -0.770722D-01 -0.111987D+01  0.195728D+01 -0.115725D+01
      2  -0.770722D-01  0.236125D+01  0.288694D+01 -0.115725D+01  0.310063D+01
      3  -0.111987D+01  0.288694D+01 -0.345605D+00  0.303861D+01 -0.146131D+01
               171           172           173           174           175 
      1   0.303861D+01  0.459660D+01 -0.240663D+01  0.251250D+01 -0.249871D+01
      2  -0.146131D+01 -0.240663D+01  0.202401D+01 -0.148810D+01  0.173556D+01
      3  -0.544972D+01  0.251250D+01 -0.148810D+01  0.307691D+01 -0.119432D+01
               176           177           178           179           180 
      1   0.173556D+01 -0.119432D+01  0.129015D+01 -0.723642D+00  0.164504D+01
      2  -0.229265D+01  0.205769D+01 -0.723642D+00  0.104967D+01 -0.100980D+01
      3   0.205769D+01 -0.184045D+01  0.164504D+01 -0.100980D+01  0.176150D+01
               181           182           183           184           185 
      1  -0.419358D+01 -0.227541D+01  0.237693D+01 -0.235947D+01 -0.161007D+01
      2  -0.227541D+01 -0.188663D+01  0.142275D+01 -0.161007D+01 -0.218185D+01
      3   0.237693D+01  0.142275D+01 -0.304375D+01  0.114469D+01  0.195161D+01
               186           187           188           189           190 
      1   0.114469D+01  0.153920D+01  0.770805D+00 -0.166562D+01  0.172274D+00
      2   0.195161D+01  0.770805D+00  0.106869D+01 -0.974710D+00  0.218518D+00
      3  -0.192593D+01 -0.166562D+01 -0.974710D+00  0.195333D+01  0.105739D+01
               191           192           193           194           195 
      1   0.218518D+00  0.105739D+01  0.691941D+00  0.757418D-01  0.227757D+00
      2   0.121927D+00  0.144098D+00  0.757418D-01  0.392564D+01  0.278911D+01
      3   0.144098D+00  0.250379D+00  0.227757D+00  0.278911D+01  0.455463D+01
               196           197           198           199           200 
      1   0.779916D+00  0.543555D-01  0.716905D-01 -0.378740D+00 -0.959315D+00
      2   0.543555D-01  0.198953D+01  0.226072D+01 -0.959315D+00 -0.882766D+00
      3   0.716905D-01  0.226072D+01  0.400414D+01 -0.571319D+00 -0.143415D-01
               201           202           203           204           205 
      1  -0.571319D+00 -0.235364D+01 -0.175328D+01  0.643722D-01 -0.107593D+01
      2  -0.143415D-01 -0.175328D+01 -0.611870D+01 -0.111075D+01 -0.141712D+00
      3  -0.297399D+00  0.643722D-01 -0.111075D+01 -0.106163D+01 -0.565555D+00
               206           207           208           209           210 
      1  -0.141712D+00 -0.565555D+00 -0.735580D+01  0.196501D+01 -0.209660D+01
      2  -0.120952D+01 -0.864793D+00  0.196501D+01 -0.116708D+01  0.532244D+00
      3  -0.864793D+00 -0.225686D+00 -0.209660D+01  0.532244D+00 -0.151731D+01
               211           212           213           214           215 
      1   0.418490D+01 -0.190225D+01  0.946893D+00 -0.414804D+01  0.956942D+00
      2  -0.190225D+01  0.125431D+01 -0.898032D+00  0.956942D+00 -0.111414D+01
      3   0.946893D+00 -0.898032D+00  0.995937D+00 -0.246563D+01  0.726046D+00
               216           217           218           219           220 
      1  -0.246563D+01 -0.235740D+01  0.224494D+00  0.172769D+01  0.773191D+00
      2   0.726046D+00  0.224494D+00 -0.337101D+00  0.128050D+00 -0.711492D+00
      3  -0.133545D+01  0.172769D+01  0.128050D+00 -0.190150D+01 -0.700962D-01
               221           222           223           224           225 
      1  -0.711492D+00 -0.700962D-01  0.378439D+01  0.250452D+00 -0.366526D+01
      2  -0.279240D+00  0.662815D+00  0.250452D+00  0.837781D+00 -0.572866D-01
      3   0.662815D+00  0.290762D+00 -0.366526D+01 -0.572866D-01  0.660789D+01
               226           227           228           229           230 
      1   0.423932D+01  0.190976D+01 -0.499206D+00  0.203818D+01  0.184127D+01
      2   0.190976D+01  0.310188D+01  0.387868D+00  0.184127D+01  0.341594D+01
      3  -0.499206D+00  0.387868D+00  0.684532D+00  0.921526D-01 -0.154590D+00
               231           232           233           234           235 
      1   0.921526D-01 -0.601370D+00  0.163274D+00  0.357965D+00 -0.116236D+01
      2  -0.154590D+00  0.163274D+00 -0.630825D+00  0.614935D+00  0.101216D+01
      3   0.556451D+00  0.357965D+00  0.614935D+00  0.327154D+00  0.121030D+01
               236           237           238           239           240 
      1   0.101216D+01  0.121030D+01  0.361930D+00 -0.309945D+00 -0.435714D-01
      2  -0.636606D+00 -0.418342D+00 -0.309945D+00  0.392524D+00  0.844978D+00
      3  -0.418342D+00 -0.158931D+01 -0.435714D-01  0.844978D+00  0.526830D+00
               241           242           243           244           245 
      1   0.163662D+01 -0.874695D+00 -0.225207D+01 -0.493245D+01  0.380338D+01
      2  -0.874695D+00  0.216607D+01  0.230457D+01  0.380338D+01 -0.370812D+01
      3  -0.225207D+01  0.230457D+01  0.752257D+01 -0.119279D+01  0.776140D+00
               246           247           248           249           250 
      1  -0.119279D+01  0.269018D+01 -0.264190D+01  0.700723D+00 -0.232688D+01
      2   0.776140D+00 -0.264190D+01  0.383563D+01 -0.117390D+01  0.173651D+01
      3  -0.130495D+01  0.700723D+00 -0.117390D+01  0.673745D+00 -0.151881D+01
               251           252           253           254           255 
      1   0.173651D+01 -0.151881D+01  0.477449D+01  0.259823D+01 -0.445279D+00
      2  -0.266991D+01  0.134675D+01  0.259823D+01  0.713369D+00 -0.962578D-01
      3   0.134675D+01 -0.806704D+00 -0.445279D+00 -0.962578D-01  0.852276D+00
               256           257           258           259           260 
      1  -0.103657D+01 -0.221280D+01 -0.182990D+00 -0.212695D+00  0.206405D+00
      2  -0.221280D+01 -0.526436D+01  0.321834D+00  0.206405D+00  0.521927D+00
      3  -0.182990D+00  0.321834D+00 -0.537679D+00  0.100451D+01 -0.807761D+00
               261           262           263           264           265 
      1   0.100451D+01 -0.199776D+01 -0.460379D+01  0.379625D+00 -0.614584D+01
      2  -0.807761D+00 -0.460379D+01  0.316398D+00  0.190688D+00 -0.129564D+01
      3   0.436941D+00  0.379625D+00  0.190688D+00  0.363293D+00  0.185378D+00
               266           267           268           269           270 
      1  -0.129564D+01  0.185378D+00  0.695502D+00  0.248657D+00 -0.120034D+01
      2   0.317982D+01  0.412764D+00  0.248657D+00  0.554014D+00  0.467506D+01
      3   0.412764D+00  0.397360D+01 -0.120034D+01  0.467506D+01 -0.107495D+01
               271           272           273           274           275 
      1   0.124660D+01  0.207689D+01 -0.255877D+00  0.878814D+01  0.348140D+01
      2   0.207689D+01  0.129153D+01  0.156876D-01  0.348140D+01  0.104615D+02
      3  -0.255877D+00  0.156876D-01  0.689516D-01  0.143112D+00 -0.490629D+00
               276           277           278           279           280 
      1   0.143112D+00 -0.535366D+00 -0.138494D+00  0.112558D+01  0.104028D+01
      2  -0.490629D+00 -0.138494D+00 -0.652089D+00  0.243622D+01 -0.120118D+00
      3   0.189480D+01  0.112558D+01  0.243622D+01 -0.637677D+00  0.834905D+00
               281           282           283           284           285 
      1  -0.120118D+00  0.834905D+00 -0.160739D+01  0.151084D+01 -0.630032D+00
      2  -0.407124D-01 -0.101101D+00  0.151084D+01 -0.358926D+01  0.192623D+01
      3  -0.101101D+00  0.163250D+00 -0.630032D+00  0.192623D+01 -0.260626D+01
               286           287           288           289           290 
      1   0.273914D+01 -0.123165D+01  0.166675D+01  0.932699D+01  0.186403D+01
      2  -0.123165D+01  0.270236D+01 -0.299139D+01  0.186403D+01  0.138505D+01
      3   0.166675D+01 -0.299139D+01  0.501423D+01 -0.223433D+00 -0.531457D-01
               291           292           293           294           295 
      1  -0.223433D+00  0.449785D+01  0.166962D+01 -0.700779D-01 -0.544791D+00
      2  -0.531457D-01  0.166962D+01  0.131118D+01 -0.115572D+00 -0.562308D-01
      3   0.110089D+01 -0.700779D-01 -0.115572D+00  0.333520D+00  0.126570D+01
               296           297           298           299           300 
      1  -0.562308D-01  0.126570D+01  0.826342D+00 -0.181056D+00 -0.711328D+00
      2  -0.170842D+00 -0.110151D+00 -0.181056D+00 -0.182118D+00  0.735670D-02
      3  -0.110151D+00 -0.596908D-01 -0.711328D+00  0.735670D-02 -0.126515D-01
               301           302           303           304           305 
      1  -0.188481D+01  0.164930D+01  0.429671D+00 -0.243120D+01  0.107848D+01
      2   0.164930D+01 -0.465178D+01 -0.211250D+01  0.107848D+01 -0.300032D+01
      3   0.429671D+00 -0.211250D+01 -0.259409D+01  0.123347D+01 -0.289663D+01
               306 
      1   0.123347D+01
      2  -0.289663D+01
      3  -0.359483D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.322239D+01 -0.141835D+01 -0.682347D+01 -0.170960D+01  0.102056D+02
      2   0.242084D+01  0.833213D+01  0.172934D+02  0.601670D+01  0.179601D+01
      3  -0.310629D+00 -0.631935D+01 -0.595031D+01 -0.182190D+01 -0.795825D+01
                 6             7             8             9            10 
      1   0.321855D+01 -0.614173D+01  0.804894D+01 -0.872027D+01 -0.945651D+00
      2  -0.163985D+01  0.815850D+01 -0.356804D+01 -0.959175D+01  0.180408D+01
      3   0.108085D+00 -0.267699D+01 -0.830670D+00  0.964512D+01  0.863372D+01
                11            12            13            14            15 
      1  -0.494365D+01  0.563899D+01 -0.507940D+01 -0.830976D+01 -0.104071D+02
      2  -0.745423D+00  0.254935D+01 -0.282588D+00  0.203606D+01  0.251664D+01
      3  -0.138651D+02  0.127820D+01 -0.835904D+01  0.246053D+00  0.298329D+01
                16            17            18            19            20 
      1   0.385863D+01 -0.276121D+01  0.722043D+01  0.685508D+01  0.345207D+00
      2  -0.183171D+01  0.132697D+01 -0.496145D+00 -0.671325D+01 -0.367329D+01
      3  -0.141228D+00  0.246488D+01 -0.535498D+01 -0.800447D+01 -0.414046D+01
                21            22            23            24            25 
      1   0.459077D+00  0.197295D+01 -0.101091D+02 -0.547882D+01 -0.121307D+00
      2  -0.453442D+01 -0.418316D+01 -0.318382D+01  0.138889D+01 -0.141575D+02
      3  -0.285346D+01  0.222763D+01  0.638045D+01  0.186001D+01 -0.223153D+01
                26            27            28            29            30 
      1   0.124500D+01  0.705588D+01 -0.810214D+01 -0.228893D-01  0.446185D+01
      2   0.348733D+01  0.129867D+02  0.424803D+01  0.373486D+01  0.467493D+01
      3   0.772552D+00 -0.319719D+01  0.293075D+01  0.195625D+01  0.450089D+01
                31            32            33            34            35 
      1  -0.451718D+00  0.103864D+02 -0.821923D+01  0.607318D+01 -0.114969D+01
      2   0.735843D+01 -0.156811D+01 -0.555843D+00 -0.856757D+00 -0.119033D+00
      3   0.853956D+01  0.302306D+01 -0.152826D+01  0.435054D+01 -0.566995D+00
                36            37            38            39            40 
      1  -0.146395D+01  0.554689D+00  0.103844D+01 -0.200275D+01 -0.112846D+01
      2  -0.723883D+01  0.516184D+01 -0.234477D+01  0.103407D+01 -0.422316D+01
      3  -0.411876D+01 -0.324305D+01  0.435661D+01  0.790907D+00  0.694961D+01
                41            42            43            44            45 
      1   0.117927D+01 -0.196569D+01 -0.505129D+01  0.131935D+01 -0.451972D+01
      2  -0.150666D+01 -0.204999D+01 -0.449527D+01 -0.222057D+01  0.195855D+01
      3   0.102671D+01  0.151522D+01 -0.991875D+00 -0.809310D-01  0.120858D+01
                46            47            48            49            50 
      1  -0.276579D+01  0.725726D+00 -0.419241D+00  0.213031D+01  0.418363D+01
      2  -0.236259D+01  0.442553D+01 -0.350898D+00  0.418080D+01 -0.352504D+01
      3  -0.296380D+01  0.126052D+01 -0.200416D+01  0.821565D+01 -0.168669D+01
                51            52            53            54            55 
      1   0.236577D+01  0.324046D+00  0.101237D+02  0.890037D+00  0.257696D+01
      2   0.485650D-01 -0.952139D+01 -0.331808D+00  0.215088D+01 -0.104163D+02
      3   0.180240D+01 -0.223169D+01  0.424926D+01  0.142662D+01  0.698308D+01
                56            57            58            59            60 
      1   0.465787D+01 -0.156248D+01  0.284269D+01  0.236130D+01 -0.124620D+01
      2  -0.324753D+01 -0.401880D-01 -0.376556D+01 -0.269400D+01  0.292264D+00
      3  -0.187029D+01  0.154292D+01  0.226296D+01 -0.748058D+00 -0.375314D-01
                61            62            63            64            65 
      1  -0.308331D+00  0.126705D+01  0.289658D+00 -0.877121D+00 -0.279670D+01
      2  -0.238009D+01 -0.157717D+00  0.560103D+00  0.940832D+01 -0.448675D+01
      3   0.126594D+01 -0.491346D+00  0.119861D+00 -0.612573D+01  0.205813D+01
                66            67            68            69            70 
      1   0.424860D+01 -0.637355D+00 -0.126596D+00 -0.122937D+01  0.238399D+01
      2  -0.935059D+01 -0.243715D+01  0.359282D+01  0.281813D+01 -0.945327D+01
      3   0.580751D+01  0.322113D+01 -0.197068D+01 -0.308065D+01  0.457610D+01
                71            72            73            74            75 
      1   0.296448D+01 -0.485311D+01  0.129262D+01  0.460149D+00  0.370698D+01
      2   0.446041D+01  0.127203D+02  0.460279D+00 -0.177088D+00  0.114312D+01
      3  -0.250702D+01 -0.718458D+01 -0.192243D+02  0.719238D+01 -0.887173D+00
                76            77            78            79            80 
      1  -0.142308D+00  0.122961D+01 -0.207462D+01  0.127979D+01  0.310262D+00
      2  -0.369384D+00  0.166639D+00 -0.108488D+01 -0.184180D+01  0.308216D+00
      3   0.838985D+01 -0.665652D+01 -0.296393D+00  0.294702D-01 -0.614160D+00
                81            82            83            84            85 
      1  -0.436905D+00  0.202388D+01  0.209303D+01 -0.511943D+01  0.190483D+01
      2  -0.255445D+00 -0.187206D+00 -0.528178D+00  0.230738D+01  0.234283D+00
      3  -0.170545D+01  0.657188D+01  0.115410D+01 -0.177818D+01  0.480471D+01
                86            87            88            89            90 
      1   0.388585D+01 -0.469898D+01 -0.231046D+01 -0.957996D+00  0.429081D+01
      2  -0.845703D+00  0.182133D+01 -0.601546D+00  0.104547D+01 -0.121276D+01
      3  -0.510866D-01 -0.678244D+00 -0.269529D+01 -0.103786D+00  0.138316D+01
                91            92            93            94            95 
      1   0.243765D+01 -0.450834D+00  0.184780D+01  0.975682D-01  0.123845D+01
      2   0.361994D+01 -0.277999D+01  0.141609D+02 -0.363820D+01  0.780313D+01
      3   0.155341D+02 -0.354159D+01  0.933229D+00  0.843848D+01 -0.106648D+02
                96            97            98            99           100 
      1  -0.505113D+01  0.169198D+01  0.188017D+01 -0.464789D+01 -0.218700D+01
      2  -0.223081D+01  0.582299D+01 -0.165458D+01 -0.128983D+02 -0.261872D+01
      3  -0.773907D+01  0.122482D+01 -0.672292D+01 -0.429282D+00  0.700687D+00
               101           102           103           104           105 
      1   0.331118D+01  0.132125D+00  0.170638D+01 -0.320084D+01  0.105476D+01
      2   0.117495D+01  0.286927D+01  0.254832D+01  0.122413D+01 -0.255767D+01
      3  -0.312034D+01  0.857237D+00  0.369812D+00  0.286781D+01 -0.307133D+01
               106           107           108           109           110 
      1  -0.527003D+00  0.516992D+01 -0.975999D+00 -0.167354D+01 -0.621102D+00
      2  -0.204192D+01 -0.141179D+01  0.404413D+01 -0.189952D+00  0.136364D+01
      3  -0.579795D+00 -0.323464D+01  0.213292D+01  0.545866D+00  0.456374D+00
               111           112           113           114           115 
      1  -0.309191D+00 -0.112298D+01 -0.129797D+02 -0.141603D+01  0.331488D-01
      2   0.380256D-01  0.300582D+01  0.280077D+01  0.446918D+00 -0.165100D+01
      3  -0.231217D+00  0.575889D+01 -0.162853D+01 -0.270745D+00 -0.420622D+00
               116           117           118           119           120 
      1   0.971554D+00 -0.103736D+01  0.401405D+01 -0.229210D+01 -0.347946D+01
      2  -0.150730D+00  0.120444D+01  0.763601D+01 -0.853470D+00 -0.982537D+00
      3  -0.453629D+00  0.392537D+00  0.424249D+01 -0.249055D+01 -0.350594D+01
               121           122           123           124           125 
      1  -0.181940D+01  0.189871D+01  0.291247D+01 -0.272679D+01  0.449401D+01
      2  -0.459691D+01  0.100056D+01  0.192340D+00 -0.637488D+01 -0.287454D+00
      3  -0.841985D+00  0.167990D+01  0.139613D+01 -0.354415D+01  0.174934D+01
               126           127           128           129           130 
      1   0.591501D+01  0.842682D+00 -0.396435D-01 -0.780438D+00  0.314063D+00
      2   0.301304D+01 -0.811262D-01  0.103100D+00  0.513303D+00 -0.158226D+01
      3   0.379388D+01  0.114987D+01  0.714431D+00  0.463885D+00  0.656754D+01
               131           132           133           134           135 
      1   0.658377D+00 -0.245953D+01  0.878239D+00  0.117023D+01 -0.189251D+01
      2   0.194252D+01  0.209163D+01 -0.365294D+01  0.101580D+01  0.259660D+01
      3  -0.235264D+01 -0.115611D+01  0.213600D+01 -0.119734D+01 -0.293237D+00
               136           137           138           139           140 
      1  -0.167309D+00  0.146640D+00 -0.412868D+00  0.614626D-01 -0.162155D+01
      2  -0.808516D+00 -0.903090D+00  0.790315D+01  0.227234D+01  0.645711D+00
      3   0.160108D+02 -0.915236D+01  0.173724D+01  0.131772D+02  0.475764D+01
               141           142           143           144           145 
      1  -0.351807D+01  0.578298D+00  0.123024D+01  0.334106D+00  0.101589D+02
      2  -0.110818D+01 -0.827132D+01 -0.265653D+01  0.614917D+00  0.232021D+01
      3  -0.774553D+00 -0.139886D+00  0.447783D+00  0.202198D+01  0.309717D+01
               146           147           148           149           150 
      1  -0.397685D+00 -0.793723D-01 -0.705776D+00 -0.800373D+01 -0.191964D+02
      2  -0.134780D+02  0.157785D+02 -0.126346D+02  0.285573D+01  0.761155D+00
      3  -0.645433D+01  0.390688D+01 -0.263249D+01 -0.156541D+00 -0.191121D+01
               151           152           153           154           155 
      1  -0.542030D+00 -0.103682D+02 -0.344730D+01 -0.117317D+01  0.506177D-01
      2   0.664293D+01  0.135558D+01 -0.195268D+01 -0.834352D+01  0.400168D+01
      3   0.232425D+01 -0.213905D+01 -0.106705D+01 -0.160715D+02  0.147988D+01
               156           157           158           159           160 
      1   0.569701D+00  0.797335D+00  0.311379D+01 -0.784565D+00  0.147005D+01
      2  -0.110674D+02  0.500506D+01 -0.100449D+02  0.279771D+01 -0.224930D+02
      3  -0.290636D+01  0.976320D+01  0.205717D+02  0.931931D+01 -0.370303D+01
               161           162           163           164           165 
      1   0.297884D+01 -0.102987D+01 -0.862958D+01  0.219910D+01 -0.631294D+01
      2   0.189306D+01  0.184614D+02 -0.307245D+01  0.746904D+01 -0.466749D+01
      3   0.969226D+01 -0.239797D+01 -0.143206D+02 -0.167864D+02  0.954515D+00
               166           167           168           169           170 
      1   0.221068D+01 -0.658319D+01  0.140159D+01 -0.878354D+01  0.100772D+02
      2   0.662514D+01 -0.600783D+01  0.151790D+01 -0.106484D+02  0.460767D+01
      3  -0.114832D+02  0.347079D+01  0.406295D+01  0.186355D+01  0.433647D+01
               171           172           173           174           175 
      1   0.145138D+02 -0.497592D+01  0.544582D+01 -0.190880D+00  0.379654D+01
      2   0.115385D+02 -0.160006D+02  0.738889D+01 -0.615346D+01  0.852106D+01
      3   0.287142D+01 -0.725855D+01  0.157451D+01 -0.290420D+01  0.494890D+01
               176           177           178           179           180 
      1  -0.463592D+01  0.198163D+01 -0.885552D+00  0.338695D+01 -0.964083D+00
      2  -0.588475D+01  0.339308D+01 -0.610715D+01  0.309577D+01 -0.476667D+01
      3  -0.201751D+01  0.219993D+01 -0.176646D+01  0.641717D+00 -0.216155D+01
               181           182           183           184           185 
      1  -0.441322D+01 -0.536439D+01  0.196004D-01 -0.353889D+01 -0.423913D+01
      2   0.120997D+02  0.497666D+01 -0.144149D+01  0.654175D+01  0.281687D+01
      3   0.352625D+01 -0.122863D+01 -0.638139D+00  0.231824D+01 -0.107748D+01
               186           187           188           189           190 
      1   0.171469D+01  0.963267D+00  0.349733D+01 -0.114027D+01  0.134397D+01
      2  -0.761537D+00 -0.424261D+01 -0.158769D+01  0.224991D+01 -0.853768D+00
      3   0.464173D+00 -0.855203D+00  0.753044D+00  0.662678D+00  0.214014D+00
               191           192           193           194           195 
      1  -0.762727D-01  0.551010D+00 -0.157507D+00  0.162968D+02  0.887105D+01
      2  -0.747660D+00 -0.182845D+01 -0.386044D+01 -0.138607D+01 -0.297031D+01
      3  -0.485679D+00 -0.612925D+00  0.176733D+01  0.184812D+01  0.154078D+01
               196           197           198           199           200 
      1   0.189182D+00  0.955248D+01  0.863345D+01 -0.726569D+00 -0.950927D-03
      2  -0.375211D+01 -0.150897D+01 -0.282033D+01  0.205831D+01  0.387273D+00
      3   0.252612D+00  0.124821D+01  0.123639D+01 -0.394321D+01 -0.266940D+01
               201           202           203           204           205 
      1  -0.351283D+00 -0.170571D-01 -0.303674D+01 -0.376023D+01  0.307258D-01
      2   0.137382D+01 -0.157614D+00  0.528482D+01  0.541623D+01  0.605517D+00
      3   0.455010D+00 -0.975467D+00 -0.265430D+02 -0.563230D+01  0.767340D+00
               206           207           208           209           210 
      1  -0.390749D+00 -0.969732D+00  0.957872D-01  0.543255D+00  0.334339D+00
      2   0.381540D+01  0.178726D+01  0.942074D+01 -0.288620D+01  0.902652D+01
      3  -0.585651D+01 -0.347935D+01  0.838017D+01 -0.770241D+01  0.295361D+01
               211           212           213           214           215 
      1  -0.327462D+00 -0.512239D+00 -0.105890D+01 -0.102436D+00  0.113334D+01
      2  -0.427917D+01  0.398016D+01 -0.528678D+01  0.845794D+01 -0.301290D+01
      3  -0.559195D+01  0.575697D+01 -0.354251D+01  0.378014D+01 -0.590379D+01
               216           217           218           219           220 
      1   0.414948D+00  0.476436D+00 -0.801155D+00 -0.782053D+00 -0.862102D-01
      2   0.665572D+01 -0.543473D+01 -0.429535D+00  0.780071D+01 -0.124341D+00
      3   0.307610D+01  0.116686D+01 -0.239143D+01 -0.155171D+00 -0.138134D+01
               221           222           223           224           225 
      1   0.288737D-01 -0.578522D+00 -0.563386D+00  0.314034D+01  0.178862D+01
      2  -0.204169D+01 -0.851840D+00  0.888457D+01  0.162958D+00 -0.264636D+02
      3  -0.111719D+01  0.192999D+01  0.477962D+00  0.473067D+01  0.122408D-01
               226           227           228           229           230 
      1   0.361840D+01  0.146711D+01 -0.344665D+01  0.173133D+01  0.269737D+01
      2  -0.338304D+01 -0.216870D+01  0.640103D+00 -0.189304D+01 -0.120826D+01
      3   0.200197D+02  0.964314D+01 -0.149118D+01  0.116505D+02  0.106981D+02
               231           232           233           234           235 
      1  -0.291619D+01 -0.172208D+01 -0.779344D+00  0.185309D+00 -0.197529D+01
      2  -0.112890D+00 -0.115941D+01 -0.109062D+01 -0.822591D+00 -0.150967D+01
      3  -0.415995D+00 -0.212843D+01 -0.949879D+00  0.244106D+01  0.127980D+00
               236           237           238           239           240 
      1   0.100555D+00  0.356113D+01  0.388263D+00 -0.184855D+01 -0.139718D+01
      2   0.456625D+00  0.353616D+01 -0.292147D+00 -0.183717D+01 -0.676876D+00
      3  -0.349679D+00  0.134512D+01  0.117856D+01  0.994385D-01  0.131141D+01
               241           242           243           244           245 
      1   0.441141D+01  0.100723D+00 -0.182189D+02  0.564631D+01 -0.379767D+01
      2   0.657395D+00 -0.425047D+01 -0.162217D+02  0.511308D+01 -0.402782D+01
      3   0.263012D+01  0.404788D+01  0.494921D+00 -0.357738D+01 -0.243690D+01
               246           247           248           249           250 
      1   0.533857D+01 -0.364074D+01  0.492515D+01 -0.427640D+01  0.443420D+01
      2   0.564528D+01 -0.317510D+01  0.427100D+01 -0.302601D+01  0.358138D+01
      3  -0.131763D+01  0.280176D+01  0.325623D+01 -0.645231D+00 -0.240670D+01
               251           252           253           254           255 
      1  -0.331604D+01  0.339786D+01 -0.316298D+00 -0.221561D+00 -0.130158D+01
      2  -0.387107D+01  0.338319D+01 -0.301963D+01 -0.101570D+01 -0.112863D+02
      3  -0.326919D+01 -0.262534D+00 -0.143903D+02  0.259269D+01  0.549715D+00
               256           257           258           259           260 
      1   0.546959D+00  0.149925D+01  0.739728D+01  0.745660D+00  0.984633D+01
      2  -0.236020D+01  0.207206D+01 -0.831075D+01 -0.200920D+02 -0.912222D+00
      3   0.940699D+00  0.232432D+02 -0.177826D+01  0.243931D+01 -0.263228D+01
               261           262           263           264           265 
      1  -0.181589D+01 -0.156054D+00  0.417569D+00  0.168091D+01  0.449355D-01
      2   0.187883D+01  0.175108D+01  0.157653D+01  0.574150D+01  0.206394D+01
      3   0.276545D+01  0.225970D+02 -0.153450D+01 -0.117745D+01  0.152807D+02
               266           267           268           269           270 
      1   0.901186D+00  0.223284D+01 -0.371151D+01  0.780807D+01 -0.658271D+00
      2   0.191683D+01  0.175521D+02 -0.930510D+01  0.229040D+02 -0.504965D+01
      3  -0.135681D+02 -0.196034D+01 -0.153796D+01 -0.283994D+01 -0.209721D+02
               271           272           273           274           275 
      1   0.607034D+00  0.386979D+00  0.828487D+00  0.951141D-01  0.263382D-02
      2  -0.996505D+00 -0.357982D-01  0.667780D+01  0.638048D+00 -0.243786D+01
      3  -0.761273D+01 -0.769501D+01 -0.414033D+00  0.341390D+01 -0.382180D+02
               276           277           278           279           280 
      1  -0.994487D+01 -0.240594D+00  0.341748D+00  0.114566D+01  0.433574D+00
      2   0.114726D+02  0.485530D+01  0.781074D+01 -0.316901D+01  0.337172D+01
      3   0.204153D+01 -0.104727D+01  0.270288D+01 -0.784636D+01  0.223113D-01
               281           282           283           284           285 
      1  -0.135787D+00 -0.667594D-01 -0.731995D+00  0.101225D+01 -0.357639D+01
      2  -0.368218D+00  0.776735D+00 -0.235147D+01  0.877734D+01 -0.116406D+02
      3  -0.505206D+00 -0.415508D+00 -0.375416D+01  0.144384D+02 -0.797888D+01
               286           287           288           289           290 
      1   0.126685D+01 -0.940782D+00  0.497991D+01 -0.109639D+00  0.333973D-02
      2   0.523380D+01 -0.134296D+02  0.222025D+02 -0.202565D+01 -0.527007D+00
      3   0.221646D+01 -0.112755D+02  0.124840D+02 -0.147116D+02 -0.100902D+02
               291           292           293           294           295 
      1   0.296729D+00  0.647962D-01 -0.439139D-01 -0.821497D+00  0.748783D+00
      2   0.707530D+01 -0.737773D+00 -0.690000D+00  0.203794D+01  0.415312D+01
      3   0.495550D+00 -0.846366D+01 -0.740224D+01  0.572217D+00  0.585262D+00
               296           297           298           299           300 
      1   0.432655D+00 -0.221026D-01 -0.561333D+00 -0.118490D-01 -0.235041D+00
      2  -0.636704D+00 -0.454745D+00 -0.324295D+01 -0.181063D+00  0.297074D+00
      3   0.922022D+00  0.373717D-01  0.533903D+00  0.296648D+00  0.883224D+00
               301           302           303           304           305 
      1   0.956670D+00 -0.223912D+01 -0.422793D+01  0.114587D+01 -0.173268D+01
      2   0.193259D+01 -0.101212D+02 -0.117006D+02  0.407132D+01 -0.131996D+02
      3  -0.387511D+01  0.192214D+02  0.903473D+01 -0.182175D+01  0.129106D+02
               306 
      1  -0.445393D+01
      2  -0.162373D+02
      3   0.122641D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.180619D+01 -0.112767D+02 -0.200924D+02 -0.778158D+01 -0.106232D+02
      2   0.791836D+01  0.422842D+01 -0.414761D+01  0.365809D+01  0.113327D+02
      3  -0.611217D+01  0.704824D+01  0.242400D+02  0.412348D+01 -0.709449D+00
      4  -0.167748D+02 -0.100049D+02 -0.133566D+02 -0.934102D+01  0.543771D+01
      5  -0.178794D+02 -0.155073D+02 -0.999330D+01 -0.122086D+02 -0.148558D+01
      6  -0.226963D+02 -0.739302D+01  0.514993D+01 -0.533180D+01  0.736631D+01
                 6             7             8             9            10 
      1   0.165936D+01 -0.135314D+02  0.251516D+01  0.147548D+02  0.100928D+02
      2   0.763623D+01 -0.372229D+01  0.751596D+01 -0.629393D+01 -0.215724D+02
      3  -0.929559D+01  0.172537D+02 -0.100311D+02 -0.846085D+01  0.114795D+02
      4  -0.106561D+01 -0.747750D+01  0.148651D-01 -0.703562D+00  0.724181D+00
      5  -0.613380D+01 -0.264423D+01 -0.563892D+01  0.110774D+02  0.421881D+01
      6  -0.567237D+01  0.417103D+01 -0.740721D+01 -0.937980D+01  0.576527D+01
                11            12            13            14            15 
      1  -0.165882D+01  0.616356D-02 -0.273230D+01 -0.331003D+00 -0.484903D+01
      2  -0.200773D+01  0.911055D+01 -0.867906D+00 -0.337263D+01  0.124865D+02
      3   0.366655D+01 -0.911671D+01  0.360020D+01  0.370363D+01 -0.763750D+01
      4  -0.173540D+02  0.668355D+01 -0.131709D+02 -0.226104D+01  0.103243D+02
      5   0.554135D+01 -0.433211D+01  0.464777D+01  0.806991D+01  0.433541D+01
      6   0.816374D+01 -0.652321D+01  0.640483D+01  0.104873D+02  0.175052D+01
                16            17            18            19            20 
      1  -0.263414D+01 -0.649736D+01 -0.431232D+01 -0.139990D+00  0.563104D+01
      2   0.891437D+01  0.149610D+02  0.977918D+01 -0.235375D-01 -0.578939D+01
      3  -0.628023D+01 -0.846367D+01 -0.546686D+01  0.163527D+00  0.158343D+00
      4   0.346282D+01  0.104066D+02 -0.386228D+01  0.993142D+01 -0.421436D+01
      5  -0.443780D+01  0.247589D+00 -0.533429D+01 -0.146039D+01  0.115734D+02
      6  -0.527934D+01  0.905559D+00 -0.364664D+01  0.119236D+02  0.785775D+00
                21            22            23            24            25 
      1   0.644172D+01  0.490300D+01  0.484191D+01 -0.113468D+01  0.120879D+02
      2   0.111707D+02 -0.625554D+01  0.746335D+00 -0.874078D+01  0.511689D+01
      3  -0.176124D+02  0.135254D+01 -0.558825D+01  0.987545D+01 -0.172048D+02
      4   0.818114D+01 -0.409151D+01 -0.745322D+01 -0.106490D+02  0.677077D+01
      5  -0.159068D+02  0.105725D+02 -0.112798D+02  0.119945D+02 -0.209577D+02
      6   0.103741D+02 -0.323742D+01 -0.861335D+01 -0.853641D+01  0.853051D+01
                26            27            28            29            30 
      1  -0.168720D+01 -0.175566D+02 -0.240070D+00  0.154665D+01 -0.928135D+01
      2  -0.642322D+01  0.106711D+02  0.822132D+01 -0.309735D+01 -0.707853D+01
      3   0.811042D+01  0.688554D+01 -0.798125D+01  0.155071D+01  0.163599D+02
      4  -0.514553D+01  0.147565D+02  0.164276D+01  0.139381D+01 -0.482638D+00
      5   0.140959D+02 -0.775219D+01 -0.701880D+00 -0.432135D+01 -0.727371D+01
      6  -0.491038D+01  0.942340D+01 -0.752666D+01  0.154082D+00 -0.284564D+01
                31            32            33            34            35 
      1   0.132608D+01  0.137110D+02  0.221541D+01 -0.125420D+02  0.275164D+01
      2  -0.443211D+01 -0.205404D+02  0.110289D+02 -0.477957D+01  0.468907D+01
      3   0.310603D+01  0.682939D+01 -0.132443D+02  0.173216D+02 -0.744071D+01
      4   0.265650D+01  0.390349D+00  0.170102D+01 -0.207757D+01 -0.329494D+00
      5  -0.517870D+01  0.661527D+01  0.226315D+01 -0.237813D+01 -0.344344D+00
      6   0.304298D+01  0.199073D+02 -0.136050D+01 -0.475388D+01  0.138210D+01
                36            37            38            39            40 
      1  -0.246417D+01 -0.378099D+02  0.325556D+01  0.804453D+00  0.102844D+02
      2   0.412072D+01  0.191725D+02 -0.326465D+01  0.104593D+00 -0.365701D+01
      3  -0.165655D+01  0.186374D+02  0.909768D-02 -0.909047D+00 -0.662738D+01
      4  -0.357357D+01 -0.193910D+01 -0.110683D+02  0.179001D+01 -0.391833D+01
      5   0.934799D+01  0.690967D+00  0.254239D+01 -0.970546D+01  0.344839D+01
      6  -0.728477D+01  0.468597D+01 -0.109804D+01 -0.118005D+01 -0.220577D+01
                41            42            43            44            45 
      1   0.295431D+01 -0.152245D+01  0.430002D+01 -0.286023D+01  0.843378D+01
      2   0.186063D+00 -0.269185D+01  0.276026D-01  0.246472D+01 -0.290776D+01
      3  -0.314038D+01  0.421430D+01 -0.432762D+01  0.395505D+00 -0.552602D+01
      4   0.615732D+00 -0.211254D+01  0.160921D+01  0.240699D+00 -0.556424D+00
      5  -0.260811D+01 -0.282175D+01 -0.373810D+01 -0.187950D+01 -0.320973D+01
      6  -0.564095D+01 -0.843548D+01  0.930886D+00 -0.596645D+01 -0.813630D+00
                46            47            48            49            50 
      1  -0.178234D+02  0.788095D+01 -0.307802D+01  0.142776D+02 -0.624680D+01
      2   0.293496D+01  0.430123D+00  0.106150D+00 -0.618134D+01 -0.527109D+01
      3   0.148885D+02 -0.831107D+01  0.297187D+01 -0.809631D+01  0.115179D+02
      4   0.127846D+02 -0.261031D+01 -0.169532D+01 -0.629785D+00  0.400641D+00
      5  -0.350161D+01 -0.506064D+01  0.353892D+01 -0.416371D+01 -0.510733D+01
      6  -0.873633D+01  0.805597D+00  0.128577D+01  0.853414D+00 -0.649505D+01
                51            52            53            54            55 
      1   0.570367D+01 -0.794506D+01  0.901260D+01 -0.734957D+00  0.205741D+02
      2  -0.100422D+02  0.156978D+01 -0.139398D+02  0.444798D+00 -0.124482D+02
      3   0.433854D+01  0.637528D+01  0.492721D+01  0.290159D+00 -0.812590D+01
      4  -0.724740D+01  0.208815D+01 -0.106348D+02  0.126186D+01  0.260306D+02
      5   0.297633D+00  0.239133D+01 -0.160282D+01  0.760423D+01  0.293397D+02
      6   0.558103D+01  0.501133D+00  0.225422D+01  0.429320D+01  0.177095D+02
                56            57            58            59            60 
      1   0.401460D+01  0.481673D+01  0.377453D+01  0.117858D+01 -0.122126D+01
      2   0.378576D+00 -0.645011D+01  0.130747D+01  0.372433D+01 -0.452595D+00
      3  -0.439318D+01  0.163338D+01 -0.508200D+01 -0.490291D+01  0.167385D+01
      4   0.182584D+02  0.143237D+02  0.161121D+02  0.141048D+02  0.863308D+01
      5   0.155885D+02  0.212993D+02  0.115614D+02  0.110181D+02  0.867757D+01
      6   0.144863D+02  0.126609D+02  0.108479D+02  0.115812D+02  0.107375D+02
                61            62            63            64            65 
      1   0.268146D+01 -0.110977D+01 -0.764373D+00 -0.805069D+01  0.906358D+01
      2  -0.445057D+01 -0.229112D+01 -0.521075D+01 -0.234720D+01 -0.368623D+01
      3   0.176912D+01  0.340089D+01  0.597513D+01  0.103979D+02 -0.537735D+01
      4   0.799414D+01  0.594073D+01  0.823104D+01 -0.288933D+01  0.264560D+01
      5   0.145415D+02  0.813210D+01  0.128248D+02 -0.529033D+01  0.356266D+01
      6   0.778306D+01  0.892925D+01  0.112402D+02  0.102055D+02 -0.879933D+01
                66            67            68            69            70 
      1   0.170762D+02  0.422793D+01 -0.828374D+01 -0.816805D+01  0.107940D+02
      2   0.391819D+01 -0.271380D+01  0.305920D+01  0.199324D+01  0.227469D+01
      3  -0.209944D+02 -0.151413D+01  0.522454D+01  0.617481D+01 -0.130687D+02
      4   0.498131D+01  0.294162D+01 -0.125178D+01 -0.175690D+00  0.410719D+01
      5   0.728670D+01  0.271326D+01 -0.127476D+01  0.287045D+00  0.650464D+01
      6  -0.144996D+02 -0.436169D+01  0.841225D+01  0.137515D+02 -0.729204D+01
                71            72            73            74            75 
      1  -0.110613D+02 -0.287008D+02 -0.340873D+01  0.108457D+02  0.110231D+01
      2   0.161219D+00 -0.966690D+01  0.142619D+02 -0.192644D+02 -0.913937D+00
      3   0.109001D+02  0.383677D+02 -0.108532D+02  0.841873D+01 -0.188378D+00
      4   0.405337D+00 -0.160859D+01 -0.156238D+02  0.112565D+02 -0.122597D+01
      5   0.871124D+00 -0.185945D+01 -0.226151D+01  0.668917D+00  0.116693D+01
      6   0.150064D+02  0.248898D+02 -0.355392D+00 -0.195287D+01 -0.440923D+01
                76            77            78            79            80 
      1   0.592710D+01 -0.101115D+02 -0.531491D-02  0.589616D+00  0.179774D+00
      2  -0.124212D+02  0.205619D+02 -0.178693D+01 -0.124886D+01 -0.124030D+01
      3   0.649408D+01 -0.104503D+02  0.179225D+01  0.659241D+00  0.106053D+01
      4   0.103352D+02 -0.839722D+01 -0.661246D+00 -0.134748D-01 -0.134460D+01
      5   0.493099D+00 -0.160485D+01 -0.461106D+00  0.275118D+01 -0.709396D+00
      6  -0.147173D+01  0.315071D+00  0.359839D+01 -0.344311D+01  0.535113D+01
                81            82            83            84            85 
      1  -0.209628D+01  0.348263D+01 -0.399059D+01 -0.393830D+00 -0.214230D+01
      2   0.128710D+01  0.850130D+01  0.159669D+02 -0.380690D+01  0.104941D+02
      3   0.809185D+00 -0.119839D+02 -0.119764D+02  0.420073D+01 -0.835176D+01
      4  -0.150547D+01  0.148817D+02  0.193109D+02 -0.649436D+01  0.149393D+02
      5   0.487425D+00 -0.454722D+01 -0.404841D+01  0.522053D+01 -0.271352D+01
      6   0.131626D+01 -0.466774D+01 -0.550373D+01  0.693197D+01 -0.386495D+01
                86            87            88            89            90 
      1  -0.119427D+02  0.348848D+01  0.432164D+00  0.593784D+01 -0.305612D+01
      2   0.308785D+02 -0.882580D+01 -0.375805D+01 -0.121830D+02  0.434832D+01
      3  -0.189359D+02  0.533733D+01  0.332589D+01  0.624512D+01 -0.129220D+01
      4   0.217681D+02 -0.708387D+01 -0.620287D+01 -0.876839D+01  0.707238D+01
      5  -0.557727D+01  0.366068D+01  0.450972D+01  0.454818D+01 -0.469687D+01
      6  -0.942064D+01  0.723698D+01  0.548041D+01  0.960767D+01 -0.750959D+01
                91            92            93            94            95 
      1  -0.433486D+01 -0.285240D+02  0.804012D+01 -0.329777D+02  0.931038D+01
      2   0.957454D+01  0.130546D+02 -0.289360D+01  0.160886D+02 -0.935344D+01
      3  -0.523968D+01  0.154694D+02 -0.514653D+01  0.168891D+02  0.430634D-01
      4  -0.286148D+02  0.859801D+01 -0.247986D+01  0.565068D+01  0.137736D+02
      5   0.480351D+01 -0.605414D+00  0.162040D+02 -0.198127D+01  0.104168D+02
      6   0.358436D+01 -0.386305D+00 -0.255384D+01 -0.379816D+00 -0.233959D+01
                96            97            98            99           100 
      1  -0.213575D+01  0.745422D+01  0.963862D+00  0.185361D+02  0.982839D+01
      2  -0.218134D+01 -0.188806D+01 -0.587841D+01 -0.713357D+01 -0.124191D+02
      3   0.431709D+01 -0.556616D+01  0.491455D+01 -0.114026D+02  0.259075D+01
      4   0.132635D+02 -0.353235D+01  0.133881D+02 -0.669397D+01 -0.110873D+02
      5  -0.623748D+01  0.171474D+02 -0.418287D+01 -0.172271D+02  0.213305D+02
      6  -0.559437D+00 -0.304359D+01  0.984174D+00  0.365138D+01 -0.888378D+01
               101           102           103           104           105 
      1  -0.317725D+01  0.243113D+01 -0.208752D+01 -0.337698D+01  0.393958D+01
      2   0.390496D+01 -0.117851D+02  0.322039D+01 -0.100310D+01  0.391366D+01
      3  -0.727706D+00  0.935397D+01 -0.113286D+01  0.438007D+01 -0.785324D+01
      4   0.940396D+01 -0.848348D+01  0.976158D+01 -0.961632D+01  0.102566D+02
      5  -0.105850D+02  0.244359D+02 -0.107001D+02  0.120373D+02 -0.132178D+02
      6   0.655895D+01 -0.866941D+01  0.759052D+01 -0.111597D+02  0.151115D+02
               106           107           108           109           110 
      1  -0.125541D+01  0.356819D+01 -0.808870D+01 -0.213076D-01 -0.941964D+00
      2  -0.978278D+01  0.474133D+01 -0.176583D+02  0.267619D+01  0.237543D+01
      3   0.110382D+02 -0.830952D+01  0.257470D+02 -0.265488D+01 -0.143347D+01
      4  -0.636140D+01  0.730968D+01 -0.106571D+02  0.614828D+00  0.579335D+01
      5   0.210497D+02 -0.114917D+02  0.293943D+02 -0.893464D+00 -0.222220D+01
      6  -0.777421D+01  0.118868D+02 -0.154060D+02 -0.276736D+01 -0.137566D+01
               111           112           113           114           115 
      1   0.111776D+01 -0.101795D+01 -0.261546D+02  0.101070D+02  0.280952D+01
      2   0.211406D+00  0.252665D+01  0.367032D+02 -0.803919D+01 -0.971164D-02
      3  -0.132916D+01 -0.150871D+01 -0.105486D+02 -0.206785D+01 -0.279981D+01
      4  -0.128719D+01  0.561691D+01  0.178214D+01 -0.130485D+01 -0.127059D+00
      5   0.317626D+01 -0.356435D+01 -0.449878D+01  0.124180D+01  0.276201D+01
      6   0.114645D+01 -0.422588D+01 -0.282608D+02  0.132555D+02  0.190993D+01
               116           117           118           119           120 
      1   0.561248D+01 -0.538070D+01  0.197513D+01 -0.114509D+01  0.460646D+01
      2  -0.241364D+01  0.319849D+01 -0.101347D+02  0.161204D+01  0.784500D+01
      3  -0.319883D+01  0.218220D+01  0.815958D+01 -0.466948D+00 -0.124515D+02
      4   0.350531D-01  0.533856D+00  0.161066D+01  0.149451D+01 -0.156341D+01
      5   0.919322D+00 -0.192180D+01 -0.124800D+02  0.117334D+01  0.133761D+02
      6   0.996532D+01 -0.632785D+01  0.569884D-01 -0.264292D+01  0.214096D+01
               121           122           123           124           125 
      1   0.511208D-01 -0.380025D+01 -0.355514D+01  0.369191D+01  0.473032D-01
      2   0.283678D+01  0.948268D+00 -0.491130D+01  0.790639D+01 -0.287196D+01
      3  -0.288790D+01  0.285199D+01  0.846644D+01 -0.115983D+02  0.282466D+01
      4   0.118832D+01 -0.671584D+00 -0.117733D+01 -0.166966D+01 -0.128412D+01
      5   0.434151D+01 -0.302290D+01 -0.392974D+01  0.122487D+02 -0.290833D+00
      6  -0.243939D+01  0.396294D-01  0.459491D+01  0.223133D+01  0.462155D+01
               126           127           128           129           130 
      1  -0.132767D+02  0.865987D+01  0.558938D+00  0.125620D+01  0.438854D+01
      2  -0.136319D+02 -0.320517D+01  0.173440D+00 -0.411781D+00 -0.201403D+01
      3   0.269087D+02 -0.545470D+01 -0.732378D+00 -0.844419D+00 -0.237451D+01
      4   0.188587D+01  0.161040D+01  0.324800D+01  0.199937D+01  0.427361D+01
      5  -0.140912D+02  0.222104D+01  0.152280D+01  0.303842D+01  0.218152D+01
      6  -0.195309D+01  0.272185D+01  0.113950D+01  0.173003D+01  0.135955D+01
               131           132           133           134           135 
      1  -0.881500D+01 -0.492896D+01  0.188703D+01 -0.422149D+01 -0.829212D+01
      2   0.102712D+02  0.457754D+01 -0.178805D+01  0.233742D+01  0.145407D+01
      3  -0.145619D+01  0.351420D+00 -0.989845D-01  0.188407D+01  0.683805D+01
      4   0.297466D+01  0.261468D+01  0.179213D+01  0.220110D+01  0.234620D+01
      5   0.259395D+01  0.270670D+01  0.370599D+01  0.270104D+01  0.441169D+01
      6   0.928488D+01  0.847838D+01  0.123749D+01  0.754607D+01  0.859944D+01
               136           137           138           139           140 
      1   0.241725D+02 -0.943874D+01  0.473873D+01 -0.243142D+02 -0.343344D+01
      2  -0.131901D+02  0.281686D+01 -0.236982D+01  0.132631D+02  0.487875D+01
      3  -0.109824D+02  0.662188D+01 -0.236890D+01  0.110511D+02 -0.144532D+01
      4  -0.840938D+01  0.187563D+02 -0.159285D+01  0.114171D+02 -0.317890D+01
      5   0.339824D+01 -0.128299D+01  0.159842D+02 -0.203300D+01  0.127709D+01
      6  -0.950719D+00 -0.615947D+00  0.507542D+00 -0.296506D-01  0.322880D+00
               141           142           143           144           145 
      1   0.480374D+00  0.307539D+01  0.920062D+00 -0.483911D+01  0.123310D+02
      2   0.403813D+00 -0.677505D+00 -0.287382D+00  0.111015D+01 -0.168828D+01
      3  -0.884187D+00 -0.239788D+01 -0.632680D+00  0.372897D+01 -0.106427D+02
      4   0.135274D+01 -0.106163D+01 -0.508239D+00 -0.285774D+01 -0.727691D+01
      5   0.119783D+01  0.127647D+01 -0.162090D+01  0.472027D+00  0.464348D+01
      6   0.527174D+01  0.585384D+00  0.332776D+01 -0.873012D+00  0.260150D+02
               146           147           148           149           150 
      1  -0.661076D+01  0.499404D+01 -0.648899D+01  0.103523D+02  0.657527D+01
      2   0.311978D+01 -0.347832D+01  0.340081D+01  0.915604D+01  0.853264D+01
      3   0.349098D+01 -0.151572D+01  0.308818D+01 -0.195083D+02 -0.151079D+02
      4  -0.891547D+01  0.104253D+02 -0.888907D+01  0.158433D+01  0.602819D+01
      5   0.214212D+02 -0.171779D+02  0.211739D+02  0.464276D+01  0.217292D+01
      6  -0.168113D+01 -0.561444D-01 -0.150080D+01 -0.338811D+01 -0.213215D+02
               151           152           153           154           155 
      1   0.423593D+01  0.302401D+01 -0.689649D+01 -0.729939D+00  0.313757D+02
      2  -0.172093D+01  0.907897D+01 -0.524948D+01  0.108556D+01 -0.160781D+02
      3  -0.251500D+01 -0.121030D+02  0.121460D+02 -0.355623D+00 -0.152975D+02
      4   0.620520D+01  0.478890D+01  0.130953D+01  0.314776D+02 -0.417788D+01
      5  -0.142021D+02  0.202375D+01 -0.408137D+01 -0.169071D+02  0.450039D+01
      6  -0.110196D+00 -0.160902D+02 -0.116819D+02 -0.103377D+01 -0.528179D+00
               156           157           158           159           160 
      1  -0.184905D+02  0.368743D+02 -0.852937D+01  0.778774D+01 -0.235574D+02
      2   0.598508D+01 -0.196449D+02  0.124060D+01 -0.418709D+01  0.572996D+01
      3   0.125054D+02 -0.172295D+02  0.728877D+01 -0.360065D+01  0.178275D+02
      4   0.479574D+01 -0.899189D+01 -0.269808D+02 -0.148422D+02  0.728523D+01
      5  -0.218428D+02  0.782093D+01 -0.140057D+02  0.595329D+01 -0.330141D+02
      6  -0.617299D+00 -0.831915D+00  0.114144D+01  0.119666D+01 -0.557668D-01
               161           162           163           164           165 
      1   0.687802D+01 -0.245647D+02  0.959119D+01  0.269714D+02 -0.776989D+01
      2  -0.341234D+01  0.202301D+02 -0.231167D+02 -0.129811D+02 -0.422542D+01
      3  -0.346567D+01  0.433453D+01  0.135255D+02 -0.139903D+02  0.119953D+02
      4  -0.154145D+02  0.462151D+01  0.233120D+02 -0.207402D+02  0.100285D+02
      5   0.492176D+01  0.330932D+02 -0.847925D+01  0.239960D+01 -0.927950D+01
      6   0.602596D+00  0.188840D+01  0.398761D+01 -0.722550D+01  0.831901D+01
               166           167           168           169           170 
      1   0.247455D+02 -0.940739D+01 -0.357141D+00 -0.109925D+02  0.127822D+01
      2  -0.122270D+02  0.834478D+01  0.104848D+02 -0.486987D+01  0.137506D+02
      3  -0.125185D+02  0.106261D+01 -0.101277D+02  0.158624D+02 -0.150289D+02
      4  -0.179826D+02 -0.693020D+01 -0.145210D+02  0.122938D+02 -0.177445D+02
      5   0.198519D+01 -0.119553D+02  0.226996D+01 -0.132860D+02  0.787733D+01
      6  -0.560799D+01  0.128870D+02 -0.598356D+00  0.113460D+02 -0.455452D+01
               171           172           173           174           175 
      1  -0.394472D+01 -0.582134D+01  0.795728D+01 -0.122014D+02  0.647274D+01
      2   0.113863D+02 -0.841838D+00 -0.385928D+01 -0.345677D+01 -0.377692D+01
      3  -0.744163D+01  0.666318D+01 -0.409800D+01  0.156582D+02 -0.269581D+01
      4   0.133887D+02 -0.718387D+01  0.554605D+01 -0.471907D+01  0.617557D+01
      5   0.255928D+02  0.184778D+02 -0.102119D+02  0.123268D+02 -0.108727D+02
      6  -0.196501D+02 -0.146491D+02  0.127269D+02 -0.116833D+02  0.103527D+02
               176           177           178           179           180 
      1  -0.108897D+02  0.884199D+01 -0.588495D+01  0.496095D+01 -0.909492D+01
      2   0.594392D+01 -0.118462D+01 -0.256134D+01 -0.957105D-01 -0.322770D+01
      3   0.494577D+01 -0.765737D+01  0.844629D+01 -0.486524D+01  0.123226D+02
      4  -0.398119D+01  0.135753D+01 -0.262387D+01  0.128575D+01 -0.234263D+01
      5   0.560723D+01 -0.500945D+01  0.847070D+01 -0.384676D+01  0.775532D+01
      6  -0.139497D+02  0.145771D+02 -0.663822D+01  0.919549D+01 -0.862992D+01
               181           182           183           184           185 
      1   0.718259D+01 -0.655154D+00  0.454510D+01  0.523932D+00 -0.536144D+01
      2  -0.734988D+01  0.792493D-01  0.742725D+01  0.327734D-01  0.289061D+01
      3   0.167294D+00  0.575904D+00 -0.119724D+02 -0.556706D+00  0.247082D+01
      4   0.137376D+02  0.109821D+02 -0.862861D+01  0.105627D+02  0.994736D+01
      5  -0.240883D+02 -0.136875D+02  0.196119D+02 -0.134568D+02 -0.106239D+02
      6  -0.135879D+02 -0.117039D+02  0.111718D+02 -0.943290D+01 -0.130783D+02
               186           187           188           189           190 
      1   0.559618D+01  0.192163D+01  0.280758D+01 -0.422127D+01 -0.216495D+01
      2   0.693375D+00  0.482119D+01  0.117093D+01 -0.587383D+01 -0.163992D+01
      3  -0.628956D+01 -0.674281D+01 -0.397851D+01  0.100951D+02  0.380487D+01
      4  -0.701149D+01 -0.466048D+01 -0.408284D+01  0.553395D+01 -0.160589D+00
      5   0.942713D+01  0.136149D+02  0.666508D+01 -0.125984D+02 -0.813753D+00
      6   0.138475D+02  0.677044D+01  0.918507D+01 -0.830237D+01  0.719307D+00
               191           192           193           194           195 
      1  -0.564551D+00 -0.228119D+01 -0.106920D+01 -0.912716D+01 -0.149286D+02
      2  -0.383920D+00  0.318681D+00 -0.293653D+00 -0.410782D+01 -0.117128D+02
      3   0.948471D+00  0.196251D+01  0.136285D+01  0.132350D+02  0.266414D+02
      4   0.294898D+01  0.703318D-01  0.273515D+01 -0.568995D+01 -0.326715D+01
      5   0.154480D+01  0.689168D+01  0.385122D+01 -0.287581D+01 -0.488055D+01
      6   0.878018D+00  0.592133D+00  0.718281D+00  0.209127D+02  0.161209D+02
               196           197           198           199           200 
      1  -0.138543D+01 -0.732322D+01 -0.143382D+02  0.363918D+01  0.535667D+01
      2   0.236106D+00 -0.750460D+01 -0.133368D+02  0.214305D+00 -0.316051D+00
      3   0.114932D+01  0.148278D+02  0.276750D+02 -0.385349D+01 -0.504062D+01
      4  -0.115813D-01 -0.255764D+01 -0.307495D+01  0.655496D+01  0.108291D+02
      5   0.584907D+01 -0.271319D+01 -0.466533D+01  0.349520D+01  0.730043D+00
      6   0.242464D+00  0.132444D+02  0.126357D+02  0.693371D+00  0.649301D-01
               201           202           203           204           205 
      1   0.402422D+01  0.155733D+02  0.434832D+01 -0.151724D+01  0.831615D+01
      2  -0.155817D+01 -0.511544D+01  0.910269D+01  0.211455D+01 -0.330359D+01
      3  -0.246604D+01 -0.104578D+02 -0.134510D+02 -0.597305D+00 -0.501256D+01
      4   0.126073D+01  0.179253D+02  0.428961D+02  0.740106D+01  0.221575D+01
      5   0.331533D+01 -0.278976D+00  0.709869D+01  0.731204D+01  0.580643D+01
      6   0.457883D+00 -0.571927D+00 -0.400979D+00  0.355019D+01  0.531135D+00
               206           207           208           209           210 
      1  -0.112972D+00  0.167454D+01  0.650872D+02 -0.162972D+02  0.179154D+02
      2   0.102387D+01 -0.141907D+01 -0.323504D+02  0.747335D+01 -0.924327D+01
      3  -0.910894D+00 -0.255461D+00 -0.327369D+02  0.882388D+01 -0.867217D+01
      4   0.844111D+01  0.527626D+01 -0.173325D+02  0.122166D+02 -0.482120D+01
      5   0.539184D+01  0.933830D+00  0.190999D+02 -0.494402D+01  0.151127D+02
      6   0.329247D+01  0.134138D+01 -0.423359D+00  0.410879D+00 -0.296135D+00
               211           212           213           214           215 
      1  -0.319385D+02  0.126363D+02 -0.697811D+01  0.328719D+02 -0.685123D+01
      2   0.147505D+02 -0.359278D+01  0.344589D+01 -0.172084D+02  0.339154D+01
      3   0.171880D+02 -0.904353D+01  0.353222D+01 -0.156636D+02  0.345969D+01
      4   0.182358D+02 -0.117795D+02  0.733932D+01 -0.833639D+01  0.942685D+01
      5  -0.849234D+01  0.713960D+01 -0.868674D+01  0.227406D+02 -0.642495D+01
      6   0.138110D+01 -0.125103D+01  0.176270D+01 -0.130167D+01  0.189744D+01
               216           217           218           219           220 
      1   0.161003D+02  0.180976D+02 -0.194286D+01 -0.113953D+02 -0.535167D+01
      2  -0.111519D+02 -0.127951D+02  0.104301D+01  0.890583D+01  0.322465D+01
      3  -0.494835D+01 -0.530255D+01  0.899853D+00  0.248949D+01  0.212703D+01
      4  -0.596582D+01 -0.140625D+01  0.386176D+01 -0.143841D+01  0.664417D+01
      5   0.127148D+02 -0.153733D+02 -0.966378D+00  0.195645D+02  0.362037D+00
      6  -0.164563D+01 -0.693865D+00 -0.100377D+01  0.863402D+00 -0.226950D+01
               221           222           223           224           225 
      1   0.247396D+01 -0.141306D+00 -0.233375D+02 -0.174520D+01  0.136134D+02
      2  -0.166752D+01 -0.183035D+00  0.186245D+02  0.998852D+00 -0.222849D+02
      3  -0.806441D+00  0.324342D+00  0.471305D+01  0.746348D+00  0.867144D+01
      4   0.187086D+01 -0.528022D+01 -0.237192D+01 -0.712826D+01  0.179472D+00
      5  -0.481963D+01 -0.226023D+01  0.327480D+02 -0.306000D-01 -0.493217D+02
      6   0.181835D+00  0.431086D+01  0.948714D+00  0.428097D+01 -0.277339D+01
               226           227           228           229           230 
      1  -0.154513D+02 -0.185079D+02  0.119879D+00 -0.137170D+02 -0.181643D+02
      2   0.154996D+02  0.220990D+02  0.689166D+00  0.149133D+02  0.254533D+02
      3  -0.482494D-01 -0.359108D+01 -0.809045D+00 -0.119632D+01 -0.728902D+01
      4   0.908381D+01  0.123772D+01 -0.261219D+01  0.653332D+01 -0.332111D+00
      5   0.523921D+01  0.109975D+01 -0.471724D+00  0.216087D+01  0.266164D+01
      6  -0.266686D+00  0.412039D+01  0.401834D+01  0.180603D+01  0.194028D+01
               231           232           233           234           235 
      1  -0.263589D+00  0.235703D+01  0.672230D+00 -0.360599D+01  0.376702D+01
      2  -0.996131D+00 -0.209560D+00 -0.342689D+01  0.181974D+01 -0.230158D+01
      3   0.125972D+01 -0.214747D+01  0.275466D+01  0.178626D+01 -0.146544D+01
      4   0.743923D+00 -0.229656D+01  0.313978D+01 -0.298078D+00 -0.755764D+01
      5  -0.925555D+00  0.124415D+01 -0.148194D+01 -0.164443D+01 -0.829042D+01
      6   0.399604D+01  0.192542D+01  0.420454D+01  0.141599D+01  0.437092D+01
               236           237           238           239           240 
      1  -0.295475D+01 -0.398023D+01 -0.431729D+00 -0.236233D+01 -0.341656D+01
      2   0.409418D+00  0.505622D+01 -0.898474D+00  0.147620D+01  0.353203D+01
      3   0.254533D+01 -0.107599D+01  0.133020D+01  0.886127D+00 -0.115473D+00
      4   0.750102D+01  0.528507D+01  0.444889D+01 -0.281045D+01 -0.389448D+01
      5   0.346242D+01  0.124261D+02  0.451849D+00 -0.375004D+01 -0.267170D+01
      6  -0.215897D+01 -0.687931D+01 -0.154940D+01  0.423396D+01  0.828193D+01
               241           242           243           244           245 
      1  -0.397825D+01 -0.547367D+01 -0.895053D+01  0.246545D+02 -0.125352D+02
      2   0.596715D+01  0.430647D+01 -0.120626D+02  0.111281D+01 -0.847745D+01
      3  -0.198890D+01  0.116719D+01  0.210132D+02 -0.257674D+02  0.210126D+02
      4   0.855470D+01 -0.105812D+02 -0.139019D+02 -0.363481D+02  0.330636D+02
      5   0.159547D+02 -0.112668D+02 -0.348575D+02  0.554684D+01 -0.325560D+01
      6  -0.981667D+01  0.147975D+02  0.302428D+02 -0.516218D+01  0.357470D+01
               246           247           248           249           250 
      1   0.600495D+01 -0.844555D+01  0.279420D+01 -0.681749D+00  0.101141D+02
      2   0.744508D+00 -0.743368D+01  0.170096D+02 -0.454731D+01  0.108535D+01
      3  -0.674946D+01  0.158792D+02 -0.198038D+02  0.522906D+01 -0.111994D+02
      4  -0.837780D+01  0.251589D+02 -0.287314D+02  0.812994D+01 -0.164208D+02
      5   0.799601D+01 -0.241959D+01  0.510930D+01 -0.394282D+01  0.927171D+01
      6  -0.714641D+01  0.357176D+01 -0.519496D+01  0.549478D+01 -0.784657D+01
               251           252           253           254           255 
      1  -0.230354D+01  0.351744D+01 -0.999198D+01  0.163678D+02 -0.244338D+01
      2  -0.885816D+01  0.276897D+00  0.464732D+01 -0.418913D+01  0.171341D+01
      3   0.111617D+02 -0.379434D+01  0.534466D+01 -0.121786D+02  0.729967D+00
      4   0.180390D+02 -0.109269D+02  0.215654D+02 -0.193432D+02 -0.423491D+00
      5  -0.757086D+01  0.527350D+01 -0.260194D+01 -0.266526D+00 -0.185385D+02
      6   0.810126D+01 -0.528844D+01  0.609924D+00 -0.319142D+00  0.270549D+01
               256           257           258           259           260 
      1   0.304614D+00 -0.231976D+01 -0.230824D+01 -0.854002D+00 -0.765543D+00
      2  -0.266635D+01 -0.107623D+02  0.206782D+00  0.116359D+00  0.196884D+01
      3   0.236173D+01  0.130821D+02  0.210146D+01  0.737643D+00 -0.120329D+01
      4  -0.303577D+02 -0.445882D+02  0.245479D+01  0.236548D+01  0.418630D+01
      5   0.121481D+01  0.209702D+01 -0.128761D+02  0.725691D+01 -0.506248D+01
      6  -0.926964D+00  0.614193D+00 -0.917288D+01  0.868825D+00  0.441326D+01
               261           262           263           264           265 
      1  -0.118361D+01 -0.242815D+02 -0.386414D+02  0.379750D+01 -0.571341D+02
      2  -0.650455D+01  0.170813D+02  0.174541D+02 -0.238936D+01  0.272802D+02
      3   0.768815D+01  0.720017D+01  0.211873D+02 -0.140814D+01  0.298539D+02
      4  -0.489978D+01 -0.430458D+02  0.907732D+01  0.119064D+01 -0.606397D+01
      5   0.376750D+01  0.388219D+01  0.104399D+01  0.604777D+01  0.127982D+01
      6   0.202027D+01 -0.119668D+01 -0.508134D+00 -0.231598D+01 -0.116702D+00
               266           267           268           269           270 
      1  -0.383183D+01  0.212983D+01  0.594698D+01  0.210188D+01  0.429172D+01
      2   0.298441D+01 -0.361100D+01 -0.204008D+01 -0.414971D+01 -0.522883D+01
      3   0.847425D+00  0.148117D+01 -0.390691D+01  0.204784D+01  0.937112D+00
      4   0.209261D+02  0.342732D+01  0.176874D+01  0.429456D+01  0.370730D+02
      5   0.385776D+01  0.322339D+02 -0.944904D+01  0.392377D+02 -0.886480D+01
      6  -0.196416D+01 -0.108570D+02  0.592396D+01 -0.149991D+02  0.302583D+01
               271           272           273           274           275 
      1   0.167079D+02  0.104589D+02 -0.166953D+01  0.423321D+02 -0.109575D+02
      2  -0.559441D+01 -0.322781D+01  0.569708D+00 -0.133606D+02  0.333611D+02
      3  -0.111135D+02 -0.723105D+01  0.109982D+01 -0.289715D+02 -0.224035D+02
      4   0.170513D+02  0.224195D+02 -0.583072D+00  0.377770D+02  0.764655D+02
      5  -0.114985D+01 -0.552161D+00  0.106545D+02 -0.191981D+00 -0.301917D+01
      6  -0.405261D+00  0.182968D+00  0.397220D+00  0.103234D+01 -0.328107D+00
               276           277           278           279           280 
      1   0.203860D+01 -0.345738D+01  0.109606D+01 -0.875802D-01  0.828670D+01
      2  -0.109208D+01  0.175367D+01 -0.163034D+01  0.816703D+00 -0.496484D+01
      3  -0.946519D+00  0.170371D+01  0.534285D+00 -0.729123D+00 -0.332186D+01
      4  -0.311854D+01 -0.154591D+01 -0.443818D+01  0.170613D+02 -0.203329D+01
      5   0.179583D+02  0.133075D+02  0.159500D+02 -0.454205D+01  0.700893D+01
      6   0.151910D+02  0.366970D+01  0.111934D+02 -0.211343D+01 -0.291987D+01
               281           282           283           284           285 
      1  -0.248004D+01  0.755641D+01 -0.878877D+01  0.686987D+00  0.177372D+01
      2   0.138216D+01 -0.350173D+01  0.316697D+01  0.450654D+01 -0.228283D+01
      3   0.109788D+01 -0.405467D+01  0.562180D+01 -0.519353D+01  0.509107D+00
      4   0.241434D+01 -0.322168D+01  0.150870D+02 -0.289126D+02  0.156159D+02
      5  -0.266150D+01  0.458437D+01 -0.671796D+01  0.160765D+02 -0.220857D+02
      6   0.169815D+00 -0.262745D+00  0.332776D+01 -0.948025D+01  0.109300D+02
               286           287           288           289           290 
      1   0.186966D+02 -0.629922D+00 -0.176363D+01  0.100455D+03  0.201065D+02
      2  -0.107616D+02 -0.369151D+00 -0.509437D+01 -0.534373D+02 -0.116788D+02
      3  -0.793494D+01  0.999073D+00  0.685800D+01 -0.470181D+02 -0.842771D+01
      4  -0.131385D+02  0.220820D+02 -0.238551D+02  0.147816D+02  0.144287D+02
      5   0.181955D+02 -0.253850D+02  0.419048D+02 -0.153613D+01 -0.312224D+00
      6  -0.569669D+01  0.128267D+02 -0.149728D+02  0.881993D+00  0.359663D+00
               291           292           293           294           295 
      1  -0.243919D+01  0.429962D+02  0.159365D+02 -0.860538D+00 -0.531641D+01
      2   0.122465D+01 -0.228356D+02 -0.762921D+01  0.660345D+00  0.281082D+01
      3   0.121454D+01 -0.201605D+02 -0.830730D+01  0.200193D+00  0.250559D+01
      4  -0.354568D+00  0.179739D+02  0.133185D+02 -0.986609D+00 -0.442817D+00
      5   0.132601D+02 -0.497787D+00 -0.905355D+00  0.409547D+01  0.147357D+02
      6  -0.778036D+00  0.428688D+00  0.410362D+00  0.185450D+01 -0.122342D+00
               296           297           298           299           300 
      1  -0.819841D+00  0.100119D+02  0.694074D+01 -0.333416D+01 -0.685109D+01
      2   0.817807D+00 -0.606931D+01 -0.320664D+01  0.194297D+01  0.309527D+01
      3   0.203376D-02 -0.394260D+01 -0.373411D+01  0.139118D+01  0.375582D+01
      4  -0.146294D+01 -0.327592D+00 -0.217619D+01  0.190973D+01  0.239826D+01
      5   0.460320D-01 -0.791262D+00 -0.586923D+01  0.168732D+01  0.228942D+01
      6   0.267931D+01 -0.180846D+00  0.299164D+01  0.314418D+00  0.263393D+00
               301           302           303           304           305 
      1  -0.109209D+02 -0.599704D+00 -0.307811D+01 -0.171056D+02 -0.579913D+00
      2   0.334520D+01  0.943000D+01  0.518764D+01  0.831194D+01  0.388254D+01
      3   0.757571D+01 -0.883029D+01 -0.210954D+01  0.879370D+01 -0.330263D+01
      4   0.168742D+02 -0.371543D+02 -0.169735D+02  0.118591D+02 -0.242011D+02
      5   0.521135D+01 -0.179046D+02 -0.219448D+02  0.136108D+02 -0.245493D+02
      6  -0.309051D+01  0.104989D+02  0.103183D+02 -0.487792D+01  0.124129D+02
               306 
      1  -0.224380D+01
      2  -0.461520D+00
      3   0.270532D+01
      4  -0.229200D+02
      5  -0.299248D+02
      6   0.120210D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul 22 22:35:35 2021, MaxMem=  5637144576 cpu:          121494.3 elap:           15223.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.16867 -19.11207 -10.30099 -10.22602 -10.18388
 Alpha  occ. eigenvalues --  -10.18237 -10.18146 -10.17213 -10.16582 -10.16397
 Alpha  occ. eigenvalues --  -10.16211 -10.16091 -10.16023 -10.15993  -1.10641
 Alpha  occ. eigenvalues --   -1.01993  -0.88762  -0.77893  -0.76473  -0.75991
 Alpha  occ. eigenvalues --   -0.73915  -0.68315  -0.67776  -0.63903  -0.62577
 Alpha  occ. eigenvalues --   -0.57840  -0.53328  -0.52617  -0.49621  -0.48712
 Alpha  occ. eigenvalues --   -0.48438  -0.47052  -0.46934  -0.44736  -0.43751
 Alpha  occ. eigenvalues --   -0.42090  -0.41746  -0.41154  -0.40357  -0.39727
 Alpha  occ. eigenvalues --   -0.39517  -0.38316  -0.38089  -0.36738  -0.36413
 Alpha  occ. eigenvalues --   -0.35309  -0.34048  -0.33360  -0.32253  -0.32100
 Alpha  occ. eigenvalues --   -0.29995  -0.29737  -0.29186  -0.27854
 Alpha virt. eigenvalues --   -0.00523   0.00199   0.00660   0.01564   0.01892
 Alpha virt. eigenvalues --    0.03267   0.03610   0.04366   0.04488   0.04941
 Alpha virt. eigenvalues --    0.05594   0.06566   0.07116   0.07425   0.07836
 Alpha virt. eigenvalues --    0.08209   0.08597   0.08761   0.09184   0.09432
 Alpha virt. eigenvalues --    0.10156   0.11058   0.11922   0.11932   0.12128
 Alpha virt. eigenvalues --    0.12736   0.13366   0.13837   0.14077   0.15086
 Alpha virt. eigenvalues --    0.15373   0.15664   0.15818   0.16478   0.16763
 Alpha virt. eigenvalues --    0.17051   0.17367   0.18211   0.18368   0.18975
 Alpha virt. eigenvalues --    0.19262   0.19559   0.20034   0.20279   0.20900
 Alpha virt. eigenvalues --    0.21062   0.21182   0.21696   0.22007   0.22141
 Alpha virt. eigenvalues --    0.22552   0.22962   0.23332   0.23654   0.23745
 Alpha virt. eigenvalues --    0.23952   0.24354   0.24975   0.25240   0.25445
 Alpha virt. eigenvalues --    0.25780   0.26217   0.26540   0.26845   0.27037
 Alpha virt. eigenvalues --    0.27446   0.27611   0.28024   0.28364   0.28449
 Alpha virt. eigenvalues --    0.28847   0.29467   0.29751   0.30167   0.30360
 Alpha virt. eigenvalues --    0.30597   0.31132   0.31584   0.31621   0.31854
 Alpha virt. eigenvalues --    0.32065   0.32477   0.33053   0.33243   0.33399
 Alpha virt. eigenvalues --    0.33582   0.33943   0.34203   0.34621   0.34979
 Alpha virt. eigenvalues --    0.35200   0.35370   0.35694   0.36392   0.36528
 Alpha virt. eigenvalues --    0.36804   0.37359   0.37558   0.37853   0.37980
 Alpha virt. eigenvalues --    0.38316   0.38774   0.39109   0.39667   0.40341
 Alpha virt. eigenvalues --    0.40581   0.40831   0.41173   0.42013   0.42321
 Alpha virt. eigenvalues --    0.42541   0.42597   0.43314   0.43692   0.44056
 Alpha virt. eigenvalues --    0.44228   0.44760   0.44888   0.45399   0.45843
 Alpha virt. eigenvalues --    0.46092   0.46385   0.46665   0.46809   0.47300
 Alpha virt. eigenvalues --    0.47468   0.47827   0.48015   0.48501   0.48752
 Alpha virt. eigenvalues --    0.49221   0.49688   0.49916   0.50266   0.50412
 Alpha virt. eigenvalues --    0.50936   0.51581   0.52501   0.52905   0.53255
 Alpha virt. eigenvalues --    0.53350   0.53577   0.54496   0.54642   0.54939
 Alpha virt. eigenvalues --    0.55417   0.56137   0.56646   0.57034   0.57255
 Alpha virt. eigenvalues --    0.57581   0.57935   0.58602   0.58950   0.59373
 Alpha virt. eigenvalues --    0.59874   0.60014   0.60490   0.60801   0.61156
 Alpha virt. eigenvalues --    0.61561   0.61886   0.62784   0.63139   0.63672
 Alpha virt. eigenvalues --    0.63993   0.64575   0.64934   0.65041   0.65207
 Alpha virt. eigenvalues --    0.65633   0.65690   0.66109   0.66361   0.66912
 Alpha virt. eigenvalues --    0.67116   0.67378   0.67763   0.67997   0.68424
 Alpha virt. eigenvalues --    0.68701   0.68749   0.69052   0.69303   0.69680
 Alpha virt. eigenvalues --    0.70476   0.70824   0.71199   0.71917   0.71981
 Alpha virt. eigenvalues --    0.72523   0.72863   0.73358   0.73427   0.73793
 Alpha virt. eigenvalues --    0.73954   0.74411   0.74737   0.75263   0.75345
 Alpha virt. eigenvalues --    0.76197   0.76747   0.76773   0.77850   0.78005
 Alpha virt. eigenvalues --    0.78348   0.78652   0.79060   0.79353   0.79907
 Alpha virt. eigenvalues --    0.80742   0.80961   0.81417   0.81486   0.81746
 Alpha virt. eigenvalues --    0.82126   0.82704   0.82973   0.83264   0.83799
 Alpha virt. eigenvalues --    0.84058   0.85267   0.86190   0.86294   0.87115
 Alpha virt. eigenvalues --    0.87377   0.88933   0.89068   0.89735   0.90670
 Alpha virt. eigenvalues --    0.91650   0.92158   0.92786   0.93136   0.93752
 Alpha virt. eigenvalues --    0.94973   0.95990   0.96171   0.96538   0.97396
 Alpha virt. eigenvalues --    0.97551   0.98927   1.00091   1.00230   1.01401
 Alpha virt. eigenvalues --    1.02144   1.03291   1.03780   1.04138   1.04663
 Alpha virt. eigenvalues --    1.06133   1.06945   1.07832   1.09004   1.09747
 Alpha virt. eigenvalues --    1.10791   1.12783   1.13399   1.14343   1.15522
 Alpha virt. eigenvalues --    1.15816   1.17411   1.18311   1.18999   1.20262
 Alpha virt. eigenvalues --    1.20753   1.21931   1.22526   1.24170   1.25811
 Alpha virt. eigenvalues --    1.26119   1.26653   1.27776   1.28629   1.29565
 Alpha virt. eigenvalues --    1.31021   1.31599   1.32271   1.33071   1.33912
 Alpha virt. eigenvalues --    1.34766   1.35401   1.36050   1.36372   1.37642
 Alpha virt. eigenvalues --    1.38364   1.39964   1.40409   1.41680   1.42930
 Alpha virt. eigenvalues --    1.43610   1.44620   1.45490   1.46256   1.46867
 Alpha virt. eigenvalues --    1.47786   1.48055   1.49625   1.50400   1.50738
 Alpha virt. eigenvalues --    1.51473   1.53012   1.53943   1.54796   1.55418
 Alpha virt. eigenvalues --    1.56200   1.57651   1.58495   1.58848   1.62286
 Alpha virt. eigenvalues --    1.62682   1.63536   1.64822   1.66158   1.66850
 Alpha virt. eigenvalues --    1.67329   1.71936   1.73163   1.75337   1.76261
 Alpha virt. eigenvalues --    1.77659   1.78671   1.80411   1.80526   1.82847
 Alpha virt. eigenvalues --    1.84168   1.84466   1.85143   1.85853   1.86404
 Alpha virt. eigenvalues --    1.87919   1.88122   1.88722   1.89096   1.89936
 Alpha virt. eigenvalues --    1.91186   1.91301   1.92078   1.93180   1.93514
 Alpha virt. eigenvalues --    1.93624   1.94130   1.96125   1.97011   1.97258
 Alpha virt. eigenvalues --    1.98602   1.99041   2.01019   2.01386   2.02438
 Alpha virt. eigenvalues --    2.03124   2.04053   2.05436   2.07299   2.08120
 Alpha virt. eigenvalues --    2.08868   2.09808   2.11712   2.12227   2.13811
 Alpha virt. eigenvalues --    2.14247   2.14573   2.15568   2.15884   2.16829
 Alpha virt. eigenvalues --    2.18306   2.20367   2.20551   2.22012   2.23640
 Alpha virt. eigenvalues --    2.24638   2.25255   2.26335   2.28333   2.31550
 Alpha virt. eigenvalues --    2.32101   2.32963   2.33477   2.35055   2.35960
 Alpha virt. eigenvalues --    2.37842   2.39017   2.39693   2.39905   2.41530
 Alpha virt. eigenvalues --    2.42384   2.43313   2.43920   2.45533   2.46001
 Alpha virt. eigenvalues --    2.46254   2.47434   2.47865   2.50349   2.51359
 Alpha virt. eigenvalues --    2.52758   2.53591   2.54525   2.54995   2.55932
 Alpha virt. eigenvalues --    2.56395   2.57593   2.58711   2.59436   2.60736
 Alpha virt. eigenvalues --    2.62051   2.63469   2.64499   2.65089   2.66252
 Alpha virt. eigenvalues --    2.67069   2.68297   2.69978   2.70988   2.72211
 Alpha virt. eigenvalues --    2.73111   2.74260   2.75164   2.75801   2.76662
 Alpha virt. eigenvalues --    2.77294   2.77428   2.78794   2.79792   2.80617
 Alpha virt. eigenvalues --    2.81566   2.82107   2.83659   2.85152   2.85916
 Alpha virt. eigenvalues --    2.86506   2.87385   2.87626   2.89585   2.89912
 Alpha virt. eigenvalues --    2.90652   2.91541   2.93068   2.94327   2.95418
 Alpha virt. eigenvalues --    2.96271   2.96993   2.98048   2.98998   2.99299
 Alpha virt. eigenvalues --    3.00138   3.01395   3.02471   3.04009   3.04625
 Alpha virt. eigenvalues --    3.05101   3.05280   3.06801   3.07915   3.08144
 Alpha virt. eigenvalues --    3.09847   3.11624   3.12640   3.13857   3.14065
 Alpha virt. eigenvalues --    3.16042   3.17647   3.20454   3.21219   3.21592
 Alpha virt. eigenvalues --    3.22079   3.23208   3.24618   3.25224   3.25540
 Alpha virt. eigenvalues --    3.26015   3.26797   3.28656   3.30110   3.30212
 Alpha virt. eigenvalues --    3.31500   3.33435   3.33755   3.35098   3.35655
 Alpha virt. eigenvalues --    3.36620   3.36886   3.37657   3.39731   3.40359
 Alpha virt. eigenvalues --    3.41376   3.42234   3.43272   3.44670   3.44924
 Alpha virt. eigenvalues --    3.45089   3.46368   3.47831   3.48755   3.49941
 Alpha virt. eigenvalues --    3.50790   3.51754   3.52323   3.54320   3.54567
 Alpha virt. eigenvalues --    3.55380   3.56447   3.56854   3.57382   3.57868
 Alpha virt. eigenvalues --    3.59487   3.60894   3.62238   3.64098   3.65241
 Alpha virt. eigenvalues --    3.65898   3.67299   3.67531   3.68811   3.69181
 Alpha virt. eigenvalues --    3.71110   3.72716   3.74176   3.74669   3.76322
 Alpha virt. eigenvalues --    3.77330   3.78083   3.78868   3.80750   3.81877
 Alpha virt. eigenvalues --    3.83768   3.85076   3.86843   3.89138   3.90753
 Alpha virt. eigenvalues --    3.91450   3.93063   3.94434   3.94942   3.95706
 Alpha virt. eigenvalues --    3.96519   3.97479   3.98868   3.99763   4.00553
 Alpha virt. eigenvalues --    4.02458   4.02894   4.03987   4.05585   4.06692
 Alpha virt. eigenvalues --    4.09538   4.09768   4.11723   4.13247   4.18455
 Alpha virt. eigenvalues --    4.19340   4.20555   4.22612   4.24639   4.25613
 Alpha virt. eigenvalues --    4.27140   4.28352   4.29431   4.29990   4.31756
 Alpha virt. eigenvalues --    4.32953   4.34934   4.35832   4.39756   4.42057
 Alpha virt. eigenvalues --    4.43925   4.44685   4.46913   4.47375   4.48340
 Alpha virt. eigenvalues --    4.50019   4.52784   4.53368   4.54242   4.57413
 Alpha virt. eigenvalues --    4.57896   4.58912   4.59088   4.62377   4.62847
 Alpha virt. eigenvalues --    4.64677   4.70273   4.70330   4.71450   4.72251
 Alpha virt. eigenvalues --    4.75924   4.79543   4.80209   4.83860   4.84580
 Alpha virt. eigenvalues --    4.86706   4.87664   4.90840   4.93069   4.94380
 Alpha virt. eigenvalues --    4.98177   5.06335   5.06805   5.10483   5.11876
 Alpha virt. eigenvalues --    5.14932   5.19171   5.21745   5.24111   5.24461
 Alpha virt. eigenvalues --    5.29842   5.34742   5.37278   5.40446   5.43355
 Alpha virt. eigenvalues --    5.49686   5.53330   5.56593   5.66750   5.79734
 Alpha virt. eigenvalues --    6.00740   6.05319   6.25990   6.27886   6.41539
 Alpha virt. eigenvalues --    6.55477   6.61451   6.66697   6.78594   6.85212
 Alpha virt. eigenvalues --    6.88705   7.00091   7.02390   7.18328   7.30114
 Alpha virt. eigenvalues --    7.52831   7.60134  22.52832  22.65512  22.73721
 Alpha virt. eigenvalues --   22.75790  22.77231  22.88180  22.92505  23.01444
 Alpha virt. eigenvalues --   23.13633  23.17102  23.32772  23.57156  44.33849
 Alpha virt. eigenvalues --   44.74967
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.933919   0.023340  -0.248302   0.327824  -0.206036   0.006126
     2  C    0.023340   6.933136  -0.277515  -0.134399   0.175282  -0.295264
     3  C   -0.248302  -0.277515   6.948701  -0.025492  -0.153848   0.162260
     4  C    0.327824  -0.134399  -0.025492   6.934201  -0.077944  -0.098283
     5  C   -0.206036   0.175282  -0.153848  -0.077944   6.863550  -0.457793
     6  C    0.006126  -0.295264   0.162260  -0.098283  -0.457793   7.396605
     7  H    0.370243  -0.029530  -0.018689   0.017999  -0.010199   0.016257
     8  H    0.363759  -0.056732   0.001223  -0.028243  -0.025443   0.037961
     9  H   -0.157870   0.299057   0.026650  -0.050953  -0.022286  -0.123759
    10  H   -0.104631   0.238649   0.017436  -0.000387  -0.012065  -0.018508
    11  C   -0.205110   0.070551  -0.359203  -0.298603   0.148478  -0.188910
    12  H   -0.332660   0.116157  -0.019696  -0.355190   0.094638  -0.024619
    13  H    0.035144  -0.016931  -0.033718   0.488350  -0.100627   0.030378
    14  H   -0.043088   0.013517  -0.050953   0.180385   0.018124   0.026759
    15  H    0.028222   0.065150  -0.024104  -0.103001   0.089167  -0.197355
    16  O   -0.012550   0.034479   0.013945  -0.027105  -0.097174  -0.080745
    17  C    0.080180  -0.109317   0.076518   0.072177  -0.223754  -0.799854
    18  C    0.009260  -0.085265  -0.002561  -0.068205  -0.087218  -0.151459
    19  C   -0.005854  -0.015805  -0.240967   0.076652   0.087866  -0.194792
    20  H   -0.007461  -0.017081  -0.004517  -0.003748   0.004681  -0.073691
    21  H    0.001092  -0.019250   0.005804   0.007022   0.027965  -0.043801
    22  H    0.002873   0.010986   0.005923  -0.003872  -0.030568   0.000140
    23  H   -0.010267  -0.001872  -0.027691   0.008208   0.002212  -0.060896
    24  H    0.003765   0.010320  -0.019332  -0.002451   0.004545   0.008830
    25  H    0.010209   0.010437   0.007461   0.000553   0.008994   0.004741
    26  H    0.005028   0.008140  -0.076943  -0.030350   0.001129  -0.050894
    27  H   -0.002790   0.000708   0.015762   0.011978  -0.026574   0.028798
    28  H   -0.005113   0.001026   0.015421  -0.000064   0.010748  -0.006438
    29  C    0.001553  -0.025698   0.008099   0.092711  -0.311951  -0.003840
    30  C   -0.000405  -0.003236  -0.000505   0.001761  -0.036204  -0.004046
    31  O   -0.001704  -0.000646   0.004919   0.011145  -0.013061  -0.000066
    32  H   -0.000042   0.000371   0.000229   0.000070  -0.003018   0.000226
    33  H   -0.000072  -0.000064   0.000044  -0.000959   0.000357  -0.001499
    34  H    0.000453  -0.000559  -0.000471   0.001338  -0.002423   0.001670
               7          8          9         10         11         12
     1  C    0.370243   0.363759  -0.157870  -0.104631  -0.205110  -0.332660
     2  C   -0.029530  -0.056732   0.299057   0.238649   0.070551   0.116157
     3  C   -0.018689   0.001223   0.026650   0.017436  -0.359203  -0.019696
     4  C    0.017999  -0.028243  -0.050953  -0.000387  -0.298603  -0.355190
     5  C   -0.010199  -0.025443  -0.022286  -0.012065   0.148478   0.094638
     6  C    0.016257   0.037961  -0.123759  -0.018508  -0.188910  -0.024619
     7  H    0.532902  -0.027136   0.009466  -0.021145  -0.016317  -0.056882
     8  H   -0.027136   0.548132  -0.039810   0.005973  -0.004669   0.009263
     9  H    0.009466  -0.039810   0.772696  -0.052493   0.019296   0.010628
    10  H   -0.021145   0.005973  -0.052493   0.608497   0.032972   0.009701
    11  C   -0.016317  -0.004669   0.019296   0.032972   7.018349   0.165372
    12  H   -0.056882   0.009263   0.010628   0.009701   0.165372   1.298168
    13  H    0.000163  -0.001054  -0.002705  -0.001467  -0.081378  -0.113186
    14  H    0.000286  -0.016189   0.007215   0.000335   0.020073   0.025042
    15  H   -0.001888  -0.004596  -0.002908  -0.006171  -0.054074  -0.001762
    16  O    0.003463  -0.011640   0.099048   0.004299   0.058250   0.001574
    17  C   -0.000135  -0.002178  -0.094403  -0.095027  -0.490238  -0.013852
    18  C   -0.007821  -0.005023   0.006577   0.019997  -0.406948  -0.018980
    19  C    0.005213  -0.001047  -0.002590   0.000435  -0.678092  -0.009722
    20  H    0.000426  -0.000500   0.005988   0.009607   0.018932   0.000526
    21  H    0.000375   0.000063   0.001462   0.007378   0.005206  -0.000666
    22  H   -0.000719  -0.000041  -0.001148  -0.005039  -0.008754  -0.000379
    23  H   -0.012870  -0.006140  -0.007202   0.005142  -0.077957  -0.004599
    24  H    0.006560   0.002841   0.000979  -0.002391   0.054128   0.003739
    25  H   -0.000058   0.001362   0.002910   0.002709   0.036802   0.000077
    26  H    0.000855   0.001152   0.001549  -0.000157  -0.116052   0.016234
    27  H    0.000431   0.000108  -0.000128   0.000233   0.054774  -0.004008
    28  H   -0.001084  -0.000231   0.000164   0.000245   0.077956  -0.009389
    29  C   -0.000142   0.003529   0.011134  -0.000846  -0.002604   0.002316
    30  C   -0.000027   0.000044   0.001492  -0.000251   0.000165   0.000041
    31  O    0.000008  -0.000172   0.000843   0.000024   0.002652   0.000925
    32  H    0.000000  -0.000004   0.000135   0.000021  -0.000040   0.000008
    33  H   -0.000002  -0.000030   0.000197  -0.000023   0.000044  -0.000003
    34  H    0.000003  -0.000015  -0.000124  -0.000009   0.000031  -0.000019
              13         14         15         16         17         18
     1  C    0.035144  -0.043088   0.028222  -0.012550   0.080180   0.009260
     2  C   -0.016931   0.013517   0.065150   0.034479  -0.109317  -0.085265
     3  C   -0.033718  -0.050953  -0.024104   0.013945   0.076518  -0.002561
     4  C    0.488350   0.180385  -0.103001  -0.027105   0.072177  -0.068205
     5  C   -0.100627   0.018124   0.089167  -0.097174  -0.223754  -0.087218
     6  C    0.030378   0.026759  -0.197355  -0.080745  -0.799854  -0.151459
     7  H    0.000163   0.000286  -0.001888   0.003463  -0.000135  -0.007821
     8  H   -0.001054  -0.016189  -0.004596  -0.011640  -0.002178  -0.005023
     9  H   -0.002705   0.007215  -0.002908   0.099048  -0.094403   0.006577
    10  H   -0.001467   0.000335  -0.006171   0.004299  -0.095027   0.019997
    11  C   -0.081378   0.020073  -0.054074   0.058250  -0.490238  -0.406948
    12  H   -0.113186   0.025042  -0.001762   0.001574  -0.013852  -0.018980
    13  H    0.825097  -0.119789  -0.073912   0.004580  -0.000070   0.003676
    14  H   -0.119789   0.730601   0.023578  -0.040603  -0.002685   0.004550
    15  H   -0.073912   0.023578   0.967071  -0.069006  -0.106371   0.006567
    16  O    0.004580  -0.040603  -0.069006   8.737721  -0.125286   0.009801
    17  C   -0.000070  -0.002685  -0.106371  -0.125286   8.894114   0.016328
    18  C    0.003676   0.004550   0.006567   0.009801   0.016328   7.456918
    19  C    0.007174  -0.009944   0.023241  -0.004072   0.107258  -0.106041
    20  H   -0.000299  -0.000249   0.001060   0.003975   0.306316   0.012943
    21  H   -0.000150   0.000230   0.000733   0.006845   0.279824  -0.034979
    22  H    0.001100   0.000098   0.001945   0.004276   0.302398   0.010501
    23  H    0.001056   0.000371   0.000440  -0.004526   0.007408   0.399612
    24  H   -0.001107  -0.000282   0.000790   0.000160  -0.000576   0.257942
    25  H    0.000089   0.000054  -0.000262   0.002147  -0.047804   0.285998
    26  H   -0.013721  -0.006937  -0.010048  -0.000488   0.031160  -0.015725
    27  H   -0.001817   0.001429  -0.006337  -0.000866  -0.027376  -0.011379
    28  H    0.006902   0.003585   0.008066   0.001324  -0.006875   0.005717
    29  C    0.004176  -0.027845  -0.127387   0.027600   0.033322  -0.000948
    30  C   -0.003819  -0.003262  -0.011335  -0.070870  -0.000551  -0.000026
    31  O    0.026347   0.007404  -0.002047  -0.090246  -0.004533   0.000437
    32  H   -0.000031  -0.000189   0.001187  -0.011912   0.000681  -0.000002
    33  H    0.000043  -0.000575  -0.000189   0.002313  -0.000077  -0.000001
    34  H    0.000178   0.001227  -0.001510  -0.000005   0.000338   0.000006
              19         20         21         22         23         24
     1  C   -0.005854  -0.007461   0.001092   0.002873  -0.010267   0.003765
     2  C   -0.015805  -0.017081  -0.019250   0.010986  -0.001872   0.010320
     3  C   -0.240967  -0.004517   0.005804   0.005923  -0.027691  -0.019332
     4  C    0.076652  -0.003748   0.007022  -0.003872   0.008208  -0.002451
     5  C    0.087866   0.004681   0.027965  -0.030568   0.002212   0.004545
     6  C   -0.194792  -0.073691  -0.043801   0.000140  -0.060896   0.008830
     7  H    0.005213   0.000426   0.000375  -0.000719  -0.012870   0.006560
     8  H   -0.001047  -0.000500   0.000063  -0.000041  -0.006140   0.002841
     9  H   -0.002590   0.005988   0.001462  -0.001148  -0.007202   0.000979
    10  H    0.000435   0.009607   0.007378  -0.005039   0.005142  -0.002391
    11  C   -0.678092   0.018932   0.005206  -0.008754  -0.077957   0.054128
    12  H   -0.009722   0.000526  -0.000666  -0.000379  -0.004599   0.003739
    13  H    0.007174  -0.000299  -0.000150   0.001100   0.001056  -0.001107
    14  H   -0.009944  -0.000249   0.000230   0.000098   0.000371  -0.000282
    15  H    0.023241   0.001060   0.000733   0.001945   0.000440   0.000790
    16  O   -0.004072   0.003975   0.006845   0.004276  -0.004526   0.000160
    17  C    0.107258   0.306316   0.279824   0.302398   0.007408  -0.000576
    18  C   -0.106041   0.012943  -0.034979   0.010501   0.399612   0.257942
    19  C    7.821864   0.016334   0.005806  -0.031304  -0.005557  -0.001620
    20  H    0.016334   0.367076   0.014955  -0.006467   0.000031   0.000676
    21  H    0.005806   0.014955   0.349798   0.004090  -0.005950  -0.000551
    22  H   -0.031304  -0.006467   0.004090   0.370751   0.002157  -0.000674
    23  H   -0.005557   0.000031  -0.005950   0.002157   0.468218  -0.042112
    24  H   -0.001620   0.000676  -0.000551  -0.000674  -0.042112   0.384946
    25  H   -0.040599  -0.003118   0.013143  -0.004479  -0.039826   0.035744
    26  H    0.398257   0.000932   0.002285  -0.006931  -0.004423   0.000581
    27  H    0.259117  -0.004498  -0.004422   0.012418  -0.001049  -0.004025
    28  H    0.223033   0.000532   0.000748  -0.001135   0.002174   0.000679
    29  C    0.002503   0.006143  -0.001044  -0.005076  -0.000181   0.000050
    30  C    0.000039   0.000940  -0.000083  -0.000764   0.000002   0.000000
    31  O   -0.000621   0.000027   0.000100   0.000627  -0.000005  -0.000026
    32  H    0.000002  -0.000166  -0.000016   0.000076   0.000000  -0.000000
    33  H   -0.000004   0.000012  -0.000002  -0.000025   0.000000   0.000000
    34  H    0.000001   0.000004   0.000004   0.000010  -0.000000  -0.000000
              25         26         27         28         29         30
     1  C    0.010209   0.005028  -0.002790  -0.005113   0.001553  -0.000405
     2  C    0.010437   0.008140   0.000708   0.001026  -0.025698  -0.003236
     3  C    0.007461  -0.076943   0.015762   0.015421   0.008099  -0.000505
     4  C    0.000553  -0.030350   0.011978  -0.000064   0.092711   0.001761
     5  C    0.008994   0.001129  -0.026574   0.010748  -0.311951  -0.036204
     6  C    0.004741  -0.050894   0.028798  -0.006438  -0.003840  -0.004046
     7  H   -0.000058   0.000855   0.000431  -0.001084  -0.000142  -0.000027
     8  H    0.001362   0.001152   0.000108  -0.000231   0.003529   0.000044
     9  H    0.002910   0.001549  -0.000128   0.000164   0.011134   0.001492
    10  H    0.002709  -0.000157   0.000233   0.000245  -0.000846  -0.000251
    11  C    0.036802  -0.116052   0.054774   0.077956  -0.002604   0.000165
    12  H    0.000077   0.016234  -0.004008  -0.009389   0.002316   0.000041
    13  H    0.000089  -0.013721  -0.001817   0.006902   0.004176  -0.003819
    14  H    0.000054  -0.006937   0.001429   0.003585  -0.027845  -0.003262
    15  H   -0.000262  -0.010048  -0.006337   0.008066  -0.127387  -0.011335
    16  O    0.002147  -0.000488  -0.000866   0.001324   0.027600  -0.070870
    17  C   -0.047804   0.031160  -0.027376  -0.006875   0.033322  -0.000551
    18  C    0.285998  -0.015725  -0.011379   0.005717  -0.000948  -0.000026
    19  C   -0.040599   0.398257   0.259117   0.223033   0.002503   0.000039
    20  H   -0.003118   0.000932  -0.004498   0.000532   0.006143   0.000940
    21  H    0.013143   0.002285  -0.004422   0.000748  -0.001044  -0.000083
    22  H   -0.004479  -0.006931   0.012418  -0.001135  -0.005076  -0.000764
    23  H   -0.039826  -0.004423  -0.001049   0.002174  -0.000181   0.000002
    24  H    0.035744   0.000581  -0.004025   0.000679   0.000050   0.000000
    25  H    0.384328   0.002159   0.006184  -0.004512   0.000185   0.000001
    26  H    0.002159   0.531351  -0.049248  -0.056496   0.000137   0.000131
    27  H    0.006184  -0.049248   0.400811   0.029731   0.000103  -0.000016
    28  H   -0.004512  -0.056496   0.029731   0.401062  -0.000214  -0.000000
    29  C    0.000185   0.000137   0.000103  -0.000214   5.703316  -0.120088
    30  C    0.000001   0.000131  -0.000016  -0.000000  -0.120088   6.340593
    31  O   -0.000000   0.000039   0.000143   0.000037   0.184539  -0.073633
    32  H   -0.000000   0.000015  -0.000000   0.000000   0.005798   0.344367
    33  H    0.000000   0.000001   0.000001   0.000000  -0.022001   0.375337
    34  H    0.000000   0.000003  -0.000002  -0.000000   0.006545   0.351825
              31         32         33         34
     1  C   -0.001704  -0.000042  -0.000072   0.000453
     2  C   -0.000646   0.000371  -0.000064  -0.000559
     3  C    0.004919   0.000229   0.000044  -0.000471
     4  C    0.011145   0.000070  -0.000959   0.001338
     5  C   -0.013061  -0.003018   0.000357  -0.002423
     6  C   -0.000066   0.000226  -0.001499   0.001670
     7  H    0.000008   0.000000  -0.000002   0.000003
     8  H   -0.000172  -0.000004  -0.000030  -0.000015
     9  H    0.000843   0.000135   0.000197  -0.000124
    10  H    0.000024   0.000021  -0.000023  -0.000009
    11  C    0.002652  -0.000040   0.000044   0.000031
    12  H    0.000925   0.000008  -0.000003  -0.000019
    13  H    0.026347  -0.000031   0.000043   0.000178
    14  H    0.007404  -0.000189  -0.000575   0.001227
    15  H   -0.002047   0.001187  -0.000189  -0.001510
    16  O   -0.090246  -0.011912   0.002313  -0.000005
    17  C   -0.004533   0.000681  -0.000077   0.000338
    18  C    0.000437  -0.000002  -0.000001   0.000006
    19  C   -0.000621   0.000002  -0.000004   0.000001
    20  H    0.000027  -0.000166   0.000012   0.000004
    21  H    0.000100  -0.000016  -0.000002   0.000004
    22  H    0.000627   0.000076  -0.000025   0.000010
    23  H   -0.000005   0.000000   0.000000  -0.000000
    24  H   -0.000026  -0.000000   0.000000  -0.000000
    25  H   -0.000000  -0.000000   0.000000   0.000000
    26  H    0.000039   0.000015   0.000001   0.000003
    27  H    0.000143  -0.000000   0.000001  -0.000002
    28  H    0.000037   0.000000   0.000000  -0.000000
    29  C    0.184539   0.005798  -0.022001   0.006545
    30  C   -0.073633   0.344367   0.375337   0.351825
    31  O    8.468903   0.001722   0.003179  -0.003164
    32  H    0.001722   0.341037   0.018401   0.009412
    33  H    0.003179   0.018401   0.318518   0.014785
    34  H   -0.003164   0.009412   0.014785   0.346715
 Mulliken charges:
               1
     1  C   -0.859033
     2  C   -0.922139
     3  C    0.274111
     4  C   -0.923124
     5  C    0.360450
     6  C    1.155760
     7  H    0.239995
     8  H    0.255484
     9  H    0.280894
    10  H    0.356957
    11  C    1.204921
    12  H    0.211204
    13  H    0.131332
    14  H    0.257730
    15  H    0.587045
    16  O   -0.368707
    17  C   -2.057058
    18  C   -1.504249
    19  C   -1.686164
    20  H    0.349680
    21  H    0.375988
    22  H    0.377007
    23  H    0.416093
    24  H    0.297872
    25  H    0.324372
    26  H    0.437277
    27  H    0.321804
    28  H    0.302401
    29  C    0.556104
    30  C   -1.087614
    31  O   -0.524098
    32  H    0.291661
    33  H    0.292292
    34  H    0.273754
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.363554
     2  C   -0.284288
     3  C    0.485314
     4  C   -0.534062
     5  C    0.947495
     6  C    1.155760
    11  C    1.204921
    16  O   -0.368707
    17  C   -0.954382
    18  C   -0.465913
    19  C   -0.624682
    29  C    0.556104
    30  C   -0.229908
    31  O   -0.524098
 Electronic spatial extent (au):  <R**2>=           2856.2836
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.0509    Y=             -1.7653    Z=              0.1075  Tot=              2.0572
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -86.6671   YY=            -91.6926   ZZ=            -86.7853
   XY=             -8.1466   XZ=              0.6136   YZ=              0.2989
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.7146   YY=             -3.3110   ZZ=              1.5964
   XY=             -8.1466   XZ=              0.6136   YZ=              0.2989
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             34.3259  YYY=             -3.0959  ZZZ=             -0.2884  XYY=             -6.1170
  XXY=            -27.3539  XXZ=              1.2110  XZZ=              9.2633  YZZ=              1.4815
  YYZ=              0.0741  XYZ=              2.3899
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -2445.7614 YYYY=           -721.0635 ZZZZ=           -682.9659 XXXY=            -83.2865
 XXXZ=             17.8802 YYYX=             -9.8216 YYYZ=             -4.2046 ZZZX=             -1.5764
 ZZZY=              0.8687 XXYY=           -573.3812 XXZZ=           -522.8799 YYZZ=           -229.7845
 XXYZ=             -1.0431 YYXZ=              3.8140 ZZXY=             -3.1383
 N-N= 1.014850156373D+03 E-N=-3.472593684556D+03  KE= 6.168628620932D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul 22 22:35:36 2021, MaxMem=  5637144576 cpu:               4.5 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-3.99881884D-01-6.82884299D-01 4.29922905D-02
 Polarizability= 1.58276184D+02-2.40980466D+00 1.33105099D+02
                -7.47736341D-01-3.61990215D-01 1.27567661D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.3660    0.3644       -1.2307   -1.2322
 2     -0.3660   -0.3644        0.2144    0.2141      -13.7122  -13.7103
 3      1.2307    1.2322       16.6531   16.6507       -0.2126   -0.2141
 4     -0.2144   -0.2141       -0.0000    0.0000        1.2312    1.2322
 5     -2.9408   -2.9404       -1.2312   -1.2322        0.3555    0.3644
 6      0.2126    0.2141       -0.3555   -0.3644       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -1.0933   -1.0933       -3.6966   -3.6966
 2     -0.6423   -0.6423        0.0000    0.0000       -3.6966   -3.6966
 3     -0.6423   -0.6423       -1.0933   -1.0933       -0.0000    0.0000
 4     -1.0933   -1.0933        0.6423    0.6423      -41.1308  -41.1308
 5      3.6966    3.6966       49.9520   49.9520       -0.6423   -0.6423
 6     -8.8212   -8.8212       -3.6966   -3.6966        1.0933    1.0933
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0375    0.0000       -1.4734   -1.4578        4.9528    4.9288
 2      1.3886    1.4578       -0.8724   -0.8564       54.8496   54.8411
 3     -5.0406   -4.9288      -66.5927  -66.6027        0.7870    0.8564
 4      0.8496    0.8564        0.0430    0.0000       -4.7808   -4.9288
 5     11.8392   11.7616        4.8595    4.9288       -1.2978   -1.4578
 6     -0.8620   -0.8564        1.4962    1.4578        0.1023    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0095    0.0000        5.0147    4.8677       -0.6378   -0.5517
 2     -4.5651   -4.8677      -27.1980  -27.1055        8.6709    8.7351
 3      0.6239    0.5517        7.8228    7.8252       27.0339   27.1055
 4     26.9450   27.1055       -0.0686    0.0000        0.4474    0.5517
 5    -16.8994  -16.5603       -0.2012   -0.5517        4.8728    4.8677
 6    -27.1816  -27.1055       -4.6408   -4.8677        0.1414    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     10.4339   10.4889      -20.8986  -20.7341        5.2734    5.4573
 2     52.6483   52.8369      -11.1316  -10.8630        5.1695    5.4573
 3     52.6634   52.8369      -21.0705  -20.7341       10.4980   10.7675
 4     -9.6944   -9.8711      -42.6046  -42.3480       18.2748   18.4363
 5      5.2355    5.3102       12.0670   12.1565       42.0780   42.3480
 6    -30.9698  -30.5928       -4.8971   -5.3102        9.7837    9.8711
 Full mass-weighted force constant matrix:
 Low frequencies ---  -11.7112   -3.4433   -0.0003    0.0004    0.0007    8.6356
 Low frequencies ---   40.5012   50.2144   73.1277
 Diagonal vibrational polarizability:
       23.6480820       5.0507442      43.4344238
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     40.4956                50.1465                73.1139
 Red. masses --      1.2950                 4.3860                 2.4626
 Frc consts  --      0.0013                 0.0065                 0.0078
 IR Inten    --      1.9027                 0.3207                 1.2786
 RamAct Fr= 1--      0.5196                 0.9262                 0.1716
  Dep-P Fr= 1--      0.7483                 0.7082                 0.7369
  Dep-U Fr= 1--      0.8560                 0.8292                 0.8485
 Alpha2 Fr= 1--      0.0000                 0.0007                 0.0000
 Beta2  Fr= 1--      0.0741                 0.1280                 0.0243
 AlphaG Fr= 1--      0.0002                 0.0021                 0.0004
 Gamma2 Fr= 1--      0.0193                 0.0241                 0.0253
 Delta2 Fr= 1--      0.0201                 0.0483                -0.0103
 Raman1 Fr= 1--       2.079                  3.705                  0.687
 ROA1   Fr= 1--       2.499                  3.858                  2.100
 CID1   Fr= 1--       1.202                  1.041                  3.059
 Raman2 Fr= 1--       0.890                  1.536                  0.291
 ROA2   Fr= 1--       0.304                  0.191                  0.690
 CID2   Fr= 1--       0.341                  0.125                  2.369
 Raman3 Fr= 1--       1.779                  3.072                  0.583
 ROA3   Fr= 1--       2.499                  3.858                  2.100
 CID3   Fr= 1--       1.404                  1.256                  3.605
 RC180  Fr= 1--       0.712                  0.658                  0.697
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.02  -0.02    -0.15  -0.04  -0.01     0.10  -0.02   0.03
     2   6     0.00   0.00  -0.02    -0.04  -0.02  -0.04     0.03   0.01   0.06
     3   6     0.00   0.02   0.01    -0.10  -0.03  -0.03     0.01  -0.02  -0.00
     4   6     0.00   0.01   0.01    -0.07  -0.06  -0.13    -0.02   0.06   0.02
     5   6     0.00  -0.00   0.01     0.00  -0.02  -0.14    -0.00   0.04   0.01
     6   6    -0.00  -0.01  -0.00     0.03  -0.01  -0.06     0.00   0.04   0.02
     7   1    -0.00   0.03  -0.02    -0.18  -0.02   0.09     0.14  -0.07  -0.03
     8   1    -0.00   0.03  -0.02    -0.22  -0.07  -0.07     0.16   0.01   0.07
     9   1     0.00   0.01  -0.03    -0.04  -0.02  -0.11     0.03   0.00   0.11
    10   1     0.00  -0.00  -0.03    -0.00  -0.01   0.03     0.01   0.04   0.05
    11   6     0.00   0.00   0.01     0.01   0.01   0.01    -0.02  -0.01  -0.01
    12   1     0.00   0.03   0.01    -0.13  -0.03   0.01    -0.00  -0.06  -0.02
    13   1     0.01   0.02   0.03    -0.05  -0.07  -0.18    -0.10   0.07   0.06
    14   1     0.00   0.02   0.01    -0.13  -0.11  -0.15     0.01   0.13   0.01
    15   1    -0.00  -0.01   0.02     0.03  -0.00  -0.18     0.03   0.03   0.02
    16   8     0.00  -0.00   0.01     0.01  -0.01  -0.18    -0.02   0.01  -0.06
    17   6    -0.00  -0.03  -0.01     0.13   0.01  -0.06    -0.01   0.09   0.03
    18   6     0.00  -0.00  -0.00     0.01   0.03   0.12    -0.00  -0.06  -0.04
    19   6     0.00  -0.01   0.03     0.07   0.02  -0.02    -0.08  -0.01  -0.03
    20   1    -0.00  -0.04  -0.02     0.15   0.00  -0.11     0.01   0.13   0.06
    21   1    -0.00  -0.04  -0.02     0.15   0.03   0.01     0.01   0.07   0.04
    22   1    -0.00  -0.04   0.01     0.18   0.02  -0.07    -0.04   0.11  -0.00
    23   1     0.00   0.00  -0.01    -0.02   0.02   0.19     0.02  -0.04  -0.11
    24   1     0.00   0.00   0.00    -0.02   0.01   0.14    -0.02  -0.04  -0.00
    25   1    -0.00  -0.01  -0.00     0.08   0.09   0.14     0.00  -0.13  -0.04
    26   1     0.00  -0.00   0.03     0.05   0.01  -0.14    -0.06  -0.02   0.09
    27   1     0.01  -0.02   0.03     0.19   0.05   0.01    -0.21  -0.02  -0.06
    28   1    -0.00  -0.00   0.04     0.01   0.00   0.06    -0.02  -0.01  -0.12
    29   6    -0.00  -0.00  -0.02     0.02   0.02   0.08     0.00  -0.03  -0.01
    30   6     0.00   0.01   0.09     0.02   0.03   0.13    -0.04  -0.09  -0.17
    31   8    -0.01  -0.01  -0.10     0.03   0.04   0.27     0.06  -0.01   0.16
    32   1     0.24   0.45   0.38     0.10   0.22   0.25     0.20   0.14  -0.01
    33   1    -0.01  -0.03  -0.39     0.02   0.02  -0.03    -0.03  -0.17  -0.56
    34   1    -0.22  -0.39   0.45    -0.05  -0.14   0.29    -0.35  -0.29   0.04
                      4                      5                      6
                      A                      A                      A
 Frequencies --     96.9674               148.6003               195.9384
 Red. masses --      2.9928                 1.6114                 1.5228
 Frc consts  --      0.0166                 0.0210                 0.0344
 IR Inten    --      1.5086                 1.5029                 0.4664
 RamAct Fr= 1--      0.1847                 0.0508                 0.2675
  Dep-P Fr= 1--      0.6400                 0.5203                 0.7334
  Dep-U Fr= 1--      0.7805                 0.6845                 0.8462
 Alpha2 Fr= 1--      0.0004                 0.0002                 0.0001
 Beta2  Fr= 1--      0.0240                 0.0058                 0.0377
 AlphaG Fr= 1--      0.0002                -0.0001                -0.0010
 Gamma2 Fr= 1--     -0.0097                -0.0569                -0.0348
 Delta2 Fr= 1--      0.0318                 0.0419                -0.0288
 Raman1 Fr= 1--       0.739                  0.203                  1.070
 ROA1   Fr= 1--       0.085                 -4.121                 -4.265
 CID1   Fr= 1--       0.115                -20.297                 -3.985
 Raman2 Fr= 1--       0.288                  0.069                  0.453
 ROA2   Fr= 1--      -0.487                 -1.701                 -0.605
 CID2   Fr= 1--      -1.690                -24.484                 -1.336
 Raman3 Fr= 1--       0.577                  0.139                  0.906
 ROA3   Fr= 1--       0.085                 -4.121                 -4.265
 CID3   Fr= 1--       0.148                -29.653                 -4.710
 RC180  Fr= 1--       0.561                  0.369                  0.692
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.03  -0.01    -0.06   0.01  -0.01    -0.03  -0.00  -0.03
     2   6     0.06   0.04  -0.01     0.06   0.02  -0.04     0.02   0.01  -0.04
     3   6    -0.05   0.02   0.00    -0.01   0.00  -0.01    -0.01  -0.01  -0.01
     4   6    -0.07   0.10  -0.02     0.01  -0.03  -0.01     0.01  -0.03  -0.01
     5   6    -0.01   0.08  -0.05    -0.01   0.05   0.02    -0.01   0.02   0.02
     6   6     0.02   0.04  -0.01     0.00   0.02  -0.01    -0.00  -0.00  -0.01
     7   1     0.07  -0.02  -0.03    -0.10   0.03   0.09    -0.04  -0.00   0.00
     8   1     0.07   0.08  -0.00    -0.14  -0.02  -0.07    -0.06  -0.00  -0.05
     9   1     0.07   0.06  -0.01     0.10   0.11  -0.10     0.03   0.03  -0.06
    10   1     0.07   0.03  -0.01     0.15  -0.05  -0.02     0.04  -0.02  -0.03
    11   6    -0.03  -0.02   0.02    -0.01  -0.00  -0.00    -0.00   0.00  -0.01
    12   1    -0.09  -0.01   0.02    -0.00   0.03   0.00     0.00   0.01  -0.01
    13   1    -0.14   0.11   0.02     0.05  -0.04  -0.09     0.03  -0.04  -0.06
    14   1    -0.07   0.17  -0.06     0.00  -0.10   0.02     0.00  -0.08   0.02
    15   1     0.02   0.07  -0.04    -0.06   0.08  -0.00    -0.06   0.04   0.00
    16   8    -0.03   0.04  -0.07    -0.00   0.07   0.09    -0.00   0.04   0.09
    17   6     0.09   0.06  -0.01    -0.02  -0.04  -0.02     0.00  -0.06  -0.02
    18   6     0.01  -0.11   0.03     0.01  -0.04   0.03     0.02  -0.00   0.10
    19   6    -0.11  -0.04   0.04    -0.03   0.00  -0.03     0.00   0.03  -0.08
    20   1     0.13   0.11  -0.04    -0.02  -0.04  -0.02     0.13   0.14  -0.02
    21   1     0.13   0.00   0.02    -0.02  -0.06  -0.06     0.13  -0.28  -0.07
    22   1     0.05   0.06  -0.02    -0.04  -0.06   0.02    -0.24  -0.07   0.02
    23   1     0.05  -0.09  -0.06     0.13  -0.14   0.37    -0.09   0.09  -0.21
    24   1    -0.04  -0.10   0.11     0.04  -0.28  -0.23    -0.10   0.20   0.44
    25   1     0.05  -0.21   0.05    -0.11   0.28  -0.02     0.27  -0.31   0.19
    26   1    -0.12  -0.01   0.11    -0.14   0.11  -0.34     0.07  -0.04   0.07
    27   1    -0.17  -0.07   0.03     0.28   0.02   0.04    -0.22   0.11  -0.14
    28   1    -0.10  -0.05   0.01    -0.26  -0.12   0.18     0.15   0.06  -0.28
    29   6     0.02  -0.04  -0.01     0.02   0.01   0.02     0.00   0.02   0.03
    30   6    -0.06  -0.13   0.19    -0.04  -0.06  -0.04    -0.03  -0.02  -0.02
    31   8     0.11  -0.06  -0.09     0.08   0.01   0.00     0.03   0.01  -0.00
    32   1    -0.35  -0.25   0.10    -0.01  -0.05  -0.03    -0.01  -0.03  -0.02
    33   1    -0.00  -0.19   0.50    -0.00  -0.13  -0.12    -0.01  -0.06  -0.07
    34   1     0.11  -0.01   0.07    -0.15  -0.07  -0.03    -0.10  -0.02  -0.02
                      7                      8                      9
                      A                      A                      A
 Frequencies --    219.6226               223.4060               235.2566
 Red. masses --      1.2783                 1.2787                 2.3707
 Frc consts  --      0.0363                 0.0376                 0.0773
 IR Inten    --      0.1986                 1.7709                 0.5074
 RamAct Fr= 1--      0.4734                 0.3371                 0.2964
  Dep-P Fr= 1--      0.2474                 0.1403                 0.5620
  Dep-U Fr= 1--      0.3966                 0.2461                 0.7196
 Alpha2 Fr= 1--      0.0057                 0.0053                 0.0011
 Beta2  Fr= 1--      0.0313                 0.0138                 0.0355
 AlphaG Fr= 1--     -0.0009                -0.0079                 0.0030
 Gamma2 Fr= 1--     -0.0563                -0.0350                 0.1988
 Delta2 Fr= 1--      0.1408                 0.0395                -0.0695
 Raman1 Fr= 1--       1.893                  1.348                  1.186
 ROA1   Fr= 1--      -0.898                 -2.095                 16.862
 CID1   Fr= 1--      -0.474                 -1.554                 14.223
 Raman2 Fr= 1--       0.376                  0.166                  0.427
 ROA2   Fr= 1--      -2.478                 -1.155                  5.327
 CID2   Fr= 1--      -6.598                 -6.963                 12.488
 Raman3 Fr= 1--       0.751                  0.332                  0.853
 ROA3   Fr= 1--      -0.898                 -2.095                 16.862
 CID3   Fr= 1--      -1.195                 -6.314                 19.765
 RC180  Fr= 1--      -0.207                 -0.508                  0.439
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.02  -0.01    -0.04  -0.01   0.01    -0.04   0.01   0.00
     2   6    -0.01  -0.01   0.01    -0.02  -0.00   0.00    -0.01   0.01  -0.00
     3   6     0.01  -0.01  -0.03    -0.02  -0.01  -0.00     0.01   0.01   0.00
     4   6     0.01  -0.01  -0.03    -0.01  -0.03  -0.02     0.03  -0.03  -0.02
     5   6    -0.02   0.01  -0.01     0.00   0.01  -0.00    -0.02   0.01  -0.00
     6   6    -0.00   0.01  -0.01    -0.00   0.00  -0.00     0.01   0.00  -0.00
     7   1     0.08  -0.04  -0.07    -0.05  -0.01   0.02    -0.06   0.03   0.03
     8   1     0.11   0.00   0.03    -0.06  -0.03  -0.00    -0.07  -0.02  -0.01
     9   1    -0.03  -0.04   0.06    -0.02   0.00  -0.01    -0.01   0.00  -0.03
    10   1    -0.06   0.04   0.01    -0.01   0.00   0.02    -0.00   0.01   0.01
    11   6     0.00  -0.00  -0.02    -0.01  -0.00  -0.00     0.00   0.00   0.01
    12   1     0.02  -0.03  -0.04    -0.01  -0.00  -0.00     0.01   0.03   0.02
    13   1     0.03  -0.01  -0.05     0.00  -0.03  -0.05     0.07  -0.04  -0.06
    14   1     0.02  -0.04  -0.01    -0.02  -0.06  -0.01     0.02  -0.09  -0.00
    15   1    -0.05   0.03  -0.02    -0.03   0.03  -0.02    -0.05   0.03  -0.02
    16   8    -0.03   0.01   0.04     0.03   0.05   0.03    -0.04   0.01   0.11
    17   6     0.04   0.03  -0.01    -0.03  -0.02  -0.01     0.26  -0.01  -0.01
    18   6     0.00   0.01  -0.02    -0.01  -0.01  -0.01    -0.03   0.02  -0.12
    19   6     0.04  -0.02   0.05    -0.03  -0.01   0.02    -0.03  -0.00   0.02
    20   1     0.04  -0.00  -0.05    -0.31  -0.47  -0.06     0.32  -0.03  -0.21
    21   1     0.04   0.07   0.05    -0.30   0.43   0.04     0.32   0.01   0.18
    22   1     0.12   0.04  -0.02     0.48  -0.04   0.00     0.41  -0.01  -0.01
    23   1    -0.09   0.09  -0.31    -0.05   0.03  -0.16     0.01  -0.01  -0.03
    24   1    -0.04   0.21   0.23    -0.03   0.09   0.10     0.06  -0.03  -0.28
    25   1     0.14  -0.28   0.04     0.04  -0.15   0.01    -0.18   0.11  -0.16
    26   1    -0.07   0.08  -0.30     0.01  -0.04   0.13     0.04  -0.06   0.26
    27   1     0.47  -0.09   0.15    -0.14  -0.03  -0.01    -0.29  -0.02  -0.05
    28   1    -0.23  -0.09   0.39     0.05   0.03  -0.06     0.14   0.07  -0.17
    29   6    -0.03   0.01   0.02     0.04   0.03   0.01    -0.05   0.00   0.04
    30   6    -0.05  -0.02  -0.01     0.01  -0.01  -0.01    -0.06  -0.02  -0.02
    31   8    -0.03   0.00   0.00     0.08   0.02  -0.01    -0.06  -0.00   0.00
    32   1    -0.05  -0.02  -0.01     0.01  -0.01  -0.01    -0.03  -0.03  -0.03
    33   1    -0.04  -0.04  -0.03     0.03  -0.04  -0.02    -0.05  -0.04  -0.07
    34   1    -0.09  -0.01  -0.01    -0.02  -0.00  -0.01    -0.13  -0.00  -0.02
                     10                     11                     12
                      A                      A                      A
 Frequencies --    238.8776               243.1688               269.2593
 Red. masses --      2.2718                 2.9298                 2.3808
 Frc consts  --      0.0764                 0.1021                 0.1017
 IR Inten    --      1.8389                 1.3385                 0.3496
 RamAct Fr= 1--      0.9854                 0.4684                 2.0340
  Dep-P Fr= 1--      0.2714                 0.7469                 0.1970
  Dep-U Fr= 1--      0.4270                 0.8551                 0.3291
 Alpha2 Fr= 1--      0.0110                 0.0000                 0.0278
 Beta2  Fr= 1--      0.0701                 0.0668                 0.1116
 AlphaG Fr= 1--     -0.0138                -0.0001                 0.0177
 Gamma2 Fr= 1--     -0.2736                -0.0209                 0.1222
 Delta2 Fr= 1--     -0.1460                 0.0443                -0.0151
 Raman1 Fr= 1--       3.942                  1.874                  8.136
 ROA1   Fr= 1--     -30.938                 -0.586                 11.252
 CID1   Fr= 1--      -7.849                 -0.313                  1.383
 Raman2 Fr= 1--       0.842                  0.801                  1.339
 ROA2   Fr= 1--      -5.399                 -0.856                  3.054
 CID2   Fr= 1--      -6.416                 -1.068                  2.282
 Raman3 Fr= 1--       1.683                  1.602                  2.678
 ROA3   Fr= 1--     -30.938                 -0.586                 11.252
 CID3   Fr= 1--     -18.382                 -0.366                  4.202
 RC180  Fr= 1--      -0.146                  0.710                 -0.342
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.03   0.03    -0.11   0.08  -0.04    -0.00  -0.01  -0.03
     2   6    -0.04  -0.02   0.02    -0.05   0.04  -0.05     0.12  -0.00  -0.06
     3   6    -0.03  -0.02   0.00     0.01   0.08  -0.01     0.00  -0.01  -0.03
     4   6    -0.01  -0.06  -0.04     0.07  -0.05  -0.01     0.01  -0.02  -0.05
     5   6     0.00  -0.00  -0.02     0.04  -0.04  -0.01    -0.01   0.01  -0.02
     6   6    -0.02  -0.02  -0.00     0.00   0.03  -0.02     0.02  -0.00  -0.04
     7   1    -0.11  -0.00   0.07    -0.16   0.15   0.02    -0.03  -0.01   0.07
     8   1    -0.13  -0.07   0.00    -0.18   0.03  -0.08    -0.08  -0.01  -0.09
     9   1    -0.05  -0.04  -0.01    -0.05   0.05  -0.12     0.18   0.12  -0.13
    10   1    -0.04  -0.01   0.05    -0.02   0.02  -0.04     0.23  -0.11  -0.05
    11   6    -0.02  -0.01   0.00    -0.01   0.02  -0.01     0.04  -0.02  -0.01
    12   1    -0.03  -0.01   0.00     0.05   0.15   0.01    -0.01  -0.01  -0.01
    13   1     0.02  -0.07  -0.09     0.18  -0.05  -0.03     0.02  -0.02  -0.07
    14   1    -0.03  -0.12  -0.02     0.02  -0.13  -0.02     0.01  -0.05  -0.03
    15   1    -0.04   0.03  -0.05     0.05  -0.03  -0.03    -0.01   0.03  -0.04
    16   8     0.05   0.06   0.01     0.04  -0.09   0.07    -0.04   0.01   0.03
    17   6    -0.04   0.04   0.01     0.00   0.17  -0.00    -0.09   0.13  -0.02
    18   6    -0.07   0.04  -0.13     0.06  -0.14   0.02     0.06  -0.03   0.04
    19   6     0.01  -0.06   0.14    -0.15  -0.01   0.03     0.14  -0.06   0.12
    20   1     0.15   0.38   0.11     0.01   0.23   0.08    -0.16   0.09   0.13
    21   1     0.14  -0.27  -0.04     0.01   0.20   0.07    -0.16   0.24  -0.03
    22   1    -0.44   0.07  -0.03    -0.02   0.25  -0.13    -0.06   0.19  -0.13
    23   1    -0.12   0.07  -0.24     0.12  -0.10  -0.09     0.10  -0.06   0.15
    24   1     0.02   0.15  -0.15    -0.05  -0.14   0.16     0.04  -0.11  -0.01
    25   1    -0.15  -0.05  -0.15     0.16  -0.29   0.06     0.06   0.06   0.03
    26   1     0.04  -0.08   0.24    -0.21   0.08  -0.01     0.25  -0.18   0.39
    27   1    -0.01  -0.19   0.14    -0.11  -0.05   0.04    -0.08  -0.16   0.06
    28   1     0.05   0.03   0.20    -0.23  -0.09   0.07     0.33   0.13   0.02
    29   6     0.07   0.04  -0.00     0.02  -0.07   0.03    -0.06   0.01   0.02
    30   6     0.04  -0.00  -0.01     0.12   0.04  -0.02    -0.10  -0.03  -0.00
    31   8     0.13   0.03  -0.01    -0.05  -0.06   0.01    -0.08   0.01   0.01
    32   1     0.03  -0.00  -0.01     0.25   0.03  -0.03    -0.12  -0.03  -0.00
    33   1     0.06  -0.03  -0.02     0.05   0.16  -0.07    -0.07  -0.09  -0.01
    34   1     0.01   0.00  -0.01     0.17   0.04  -0.03    -0.16  -0.02  -0.00
                     13                     14                     15
                      A                      A                      A
 Frequencies --    332.2799               349.7798               364.8409
 Red. masses --      2.1932                 2.8499                 2.3566
 Frc consts  --      0.1427                 0.2054                 0.1848
 IR Inten    --      1.6606                 0.9421                 0.6162
 RamAct Fr= 1--      0.2610                 2.0143                 0.2089
  Dep-P Fr= 1--      0.2459                 0.2409                 0.6857
  Dep-U Fr= 1--      0.3948                 0.3883                 0.8135
 Alpha2 Fr= 1--      0.0031                 0.0245                 0.0002
 Beta2  Fr= 1--      0.0172                 0.1304                 0.0283
 AlphaG Fr= 1--      0.0131                -0.0076                 0.0006
 Gamma2 Fr= 1--     -0.2237                 0.4468                -0.1599
 Delta2 Fr= 1--     -0.0433                 0.2016                -0.1624
 Raman1 Fr= 1--       1.044                  8.057                  0.836
 ROA1   Fr= 1--     -22.865                 49.345                -20.552
 CID1   Fr= 1--     -21.902                  6.124                -24.599
 Raman2 Fr= 1--       0.206                  1.564                  0.340
 ROA2   Fr= 1--      -5.024                  9.110                 -2.539
 CID2   Fr= 1--     -24.379                  5.824                 -7.472
 Raman3 Fr= 1--       0.412                  3.129                  0.680
 ROA3   Fr= 1--     -22.865                 49.345                -20.552
 CID3   Fr= 1--     -55.479                 15.772                -30.238
 RC180  Fr= 1--      -0.210                 -0.223                  0.627
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.01   0.09     0.05  -0.03  -0.03    -0.09   0.04  -0.02
     2   6     0.17   0.07   0.03     0.16   0.00  -0.06     0.03  -0.06  -0.08
     3   6     0.00   0.00   0.03    -0.08  -0.04  -0.01     0.00   0.01   0.06
     4   6     0.02  -0.04  -0.02    -0.11   0.05   0.01    -0.01   0.03   0.13
     5   6     0.03   0.04   0.00    -0.03   0.02  -0.00    -0.01  -0.05   0.08
     6   6     0.03   0.07   0.04    -0.02  -0.00  -0.02     0.00  -0.10   0.03
     7   1    -0.14   0.01   0.30     0.08  -0.13   0.02    -0.16   0.12   0.07
     8   1    -0.24  -0.09  -0.03     0.03   0.06  -0.08    -0.21   0.01  -0.12
     9   1     0.26   0.27  -0.08     0.25   0.18  -0.10     0.08   0.03  -0.21
    10   1     0.36  -0.09   0.10     0.29  -0.14  -0.08     0.13  -0.18  -0.11
    11   6     0.02   0.04   0.02    -0.07  -0.03  -0.01     0.00  -0.06   0.03
    12   1     0.00  -0.01   0.02    -0.10  -0.08  -0.02     0.01   0.09   0.11
    13   1     0.05  -0.05  -0.10    -0.21   0.06   0.08    -0.04   0.03   0.18
    14   1     0.00  -0.12   0.01    -0.09   0.17  -0.05     0.01   0.10   0.11
    15   1     0.11   0.05  -0.04    -0.02   0.02  -0.00    -0.02  -0.11   0.16
    16   8    -0.02  -0.04  -0.08    -0.01  -0.03   0.09     0.02   0.01  -0.05
    17   6    -0.03  -0.08   0.02     0.03   0.05  -0.02     0.03   0.09   0.08
    18   6     0.02   0.01  -0.11    -0.15   0.12   0.03    -0.03  -0.02  -0.07
    19   6    -0.04   0.05   0.00     0.01  -0.02  -0.01     0.07  -0.02  -0.12
    20   1    -0.05  -0.14  -0.01     0.02   0.03  -0.04     0.03   0.13   0.16
    21   1    -0.05  -0.13  -0.11     0.02   0.10   0.06     0.03   0.20   0.23
    22   1    -0.06  -0.16   0.16     0.11   0.08  -0.08     0.09   0.21  -0.12
    23   1     0.01   0.08  -0.36    -0.29   0.12   0.02    -0.08   0.03  -0.21
    24   1     0.03   0.16   0.01    -0.09   0.23   0.05     0.02   0.11  -0.02
    25   1     0.00  -0.25  -0.10    -0.12   0.16   0.04    -0.07  -0.15  -0.07
    26   1    -0.07   0.09  -0.05     0.01  -0.05  -0.04     0.06  -0.05  -0.32
    27   1     0.01   0.05   0.02     0.06  -0.02   0.01     0.19   0.17  -0.10
    28   1    -0.09  -0.00   0.03    -0.01   0.01   0.04     0.03  -0.09  -0.13
    29   6    -0.03  -0.03  -0.03     0.02  -0.08   0.05     0.01   0.04  -0.03
    30   6    -0.01   0.00   0.01     0.14   0.04  -0.02    -0.05  -0.02   0.01
    31   8    -0.07  -0.03   0.02     0.02  -0.09   0.00     0.02   0.04  -0.00
    32   1    -0.02   0.02   0.02     0.33   0.01  -0.03    -0.14  -0.00   0.02
    33   1    -0.02   0.03   0.04     0.03   0.23  -0.08     0.00  -0.10   0.05
    34   1     0.05  -0.01   0.02     0.23   0.06  -0.04    -0.07  -0.03   0.02
                     16                     17                     18
                      A                      A                      A
 Frequencies --    404.1479               432.5107               475.9392
 Red. masses --      2.5491                 2.0021                 2.6144
 Frc consts  --      0.2453                 0.2207                 0.3489
 IR Inten    --      0.3012                 0.1368                 1.1013
 RamAct Fr= 1--      0.6531                 0.2073                 1.1518
  Dep-P Fr= 1--      0.4450                 0.4015                 0.7344
  Dep-U Fr= 1--      0.6159                 0.5729                 0.8469
 Alpha2 Fr= 1--      0.0041                 0.0015                 0.0003
 Beta2  Fr= 1--      0.0670                 0.0198                 0.1626
 AlphaG Fr= 1--     -0.0039                 0.0016                -0.0035
 Gamma2 Fr= 1--      0.1265                -0.1004                -0.1081
 Delta2 Fr= 1--      0.2919                -0.1240                -0.4916
 Raman1 Fr= 1--       2.612                  0.829                  4.607
 ROA1   Fr= 1--      21.489                -13.603                -26.104
 CID1   Fr= 1--       8.226                -16.406                 -5.666
 Raman2 Fr= 1--       0.804                  0.238                  1.951
 ROA2   Fr= 1--       0.701                 -1.417                  1.340
 CID2   Fr= 1--       0.872                 -5.964                  0.687
 Raman3 Fr= 1--       1.609                  0.475                  3.902
 ROA3   Fr= 1--      21.489                -13.603                -26.104
 CID3   Fr= 1--      13.356                -28.636                 -6.690
 RC180  Fr= 1--       0.232                  0.146                  0.694
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.01   0.03    -0.11  -0.09   0.05     0.00   0.01  -0.01
     2   6    -0.07   0.04   0.04    -0.03  -0.04   0.03    -0.00   0.07   0.02
     3   6    -0.08   0.01   0.01     0.08  -0.05  -0.07     0.08   0.01  -0.07
     4   6    -0.10   0.08  -0.02     0.01   0.14   0.06     0.11  -0.05   0.08
     5   6    -0.03   0.05  -0.01     0.02   0.03   0.03    -0.05   0.06   0.09
     6   6    -0.01   0.05   0.01     0.01   0.01  -0.05    -0.11   0.06   0.02
     7   1    -0.03  -0.02  -0.01    -0.25   0.09   0.24    -0.06   0.08   0.07
     8   1    -0.02   0.02   0.06    -0.28  -0.32  -0.03    -0.06  -0.12  -0.02
     9   1    -0.09  -0.01   0.05    -0.04  -0.04  -0.01     0.03   0.14   0.05
    10   1    -0.09   0.09   0.08    -0.01  -0.00   0.14     0.04   0.01   0.00
    11   6    -0.01   0.01   0.01     0.04   0.00  -0.09    -0.10  -0.01  -0.09
    12   1    -0.13  -0.01   0.05     0.12  -0.08  -0.13     0.21   0.03  -0.16
    13   1    -0.18   0.08   0.03    -0.27   0.17   0.26     0.24  -0.07  -0.12
    14   1    -0.10   0.16  -0.06     0.16   0.46   0.01     0.17  -0.26   0.25
    15   1    -0.01   0.06  -0.03     0.00  -0.02   0.10     0.01   0.01   0.13
    16   8    -0.04   0.01   0.06    -0.00   0.00   0.02    -0.07   0.02  -0.09
    17   6    -0.01  -0.02  -0.00     0.01  -0.00  -0.07     0.03  -0.00   0.01
    18   6     0.07  -0.16  -0.09     0.05   0.04   0.01    -0.10  -0.07   0.05
    19   6     0.19   0.03  -0.05    -0.02  -0.04   0.01     0.06  -0.06   0.00
    20   1    -0.00  -0.04  -0.05     0.02  -0.00  -0.10     0.09  -0.01  -0.19
    21   1    -0.00  -0.06  -0.04     0.02  -0.02  -0.07     0.10  -0.04   0.13
    22   1    -0.01  -0.07   0.07     0.01  -0.02  -0.04     0.13  -0.04   0.07
    23   1     0.28  -0.15  -0.16    -0.02   0.03   0.06    -0.08  -0.10   0.15
    24   1     0.02  -0.27  -0.13     0.01   0.05   0.08    -0.22  -0.15   0.12
    25   1    -0.04  -0.30  -0.11     0.17   0.08   0.04     0.05  -0.00   0.09
    26   1     0.28  -0.14  -0.13    -0.07   0.05   0.08     0.17  -0.22   0.05
    27   1     0.26   0.14  -0.03    -0.02  -0.18   0.01     0.10  -0.13   0.01
    28   1     0.27   0.15  -0.04    -0.07  -0.04   0.08     0.16   0.16   0.08
    29   6    -0.01  -0.05   0.04    -0.00  -0.01   0.01    -0.04  -0.03  -0.07
    30   6     0.07   0.03  -0.01     0.00  -0.00  -0.00     0.01   0.05   0.00
    31   8     0.03  -0.05  -0.00    -0.01  -0.01  -0.00     0.07  -0.03   0.02
    32   1     0.20   0.01  -0.02     0.02  -0.01  -0.00     0.02   0.10   0.03
    33   1    -0.01   0.16  -0.05    -0.00   0.01  -0.01    -0.06   0.18   0.06
    34   1     0.12   0.05  -0.03    -0.00   0.01  -0.01     0.19  -0.00   0.03
                     19                     20                     21
                      A                      A                      A
 Frequencies --    515.3474               527.4292               583.7146
 Red. masses --      3.1022                 3.0514                 4.0219
 Frc consts  --      0.4854                 0.5001                 0.8074
 IR Inten    --      2.7768                 2.1562                 1.2722
 RamAct Fr= 1--      1.4423                 2.6510                 1.7933
  Dep-P Fr= 1--      0.5409                 0.1451                 0.4866
  Dep-U Fr= 1--      0.7020                 0.2535                 0.6546
 Alpha2 Fr= 1--      0.0058                 0.0415                 0.0094
 Beta2  Fr= 1--      0.1688                 0.1120                 0.1957
 AlphaG Fr= 1--     -0.0017                 0.0225                 0.0105
 Gamma2 Fr= 1--     -0.0435                -0.0760                 0.2347
 Delta2 Fr= 1--      0.1422                -0.0964                 0.0255
 Raman1 Fr= 1--       5.769                 10.604                  7.173
 ROA1   Fr= 1--       0.378                -10.382                 23.350
 CID1   Fr= 1--       0.066                 -0.979                  3.255
 Raman2 Fr= 1--       2.025                  1.344                  2.348
 ROA2   Fr= 1--      -2.180                 -1.054                  5.429
 CID2   Fr= 1--      -1.077                 -0.784                  2.312
 Raman3 Fr= 1--       4.050                  2.688                  4.696
 ROA3   Fr= 1--       0.378                -10.382                 23.350
 CID3   Fr= 1--       0.093                 -3.862                  4.972
 RC180  Fr= 1--       0.404                 -0.493                  0.309
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.08  -0.04     0.02  -0.02   0.03     0.06   0.08   0.21
     2   6     0.02  -0.09  -0.05     0.03   0.04   0.03     0.05  -0.15   0.10
     3   6    -0.01  -0.05  -0.03    -0.04  -0.00  -0.03     0.08   0.14   0.08
     4   6    -0.05  -0.06   0.05    -0.02  -0.01   0.05     0.11   0.10  -0.10
     5   6    -0.11  -0.08   0.04     0.06  -0.12  -0.01    -0.05  -0.10  -0.13
     6   6    -0.10  -0.07   0.00    -0.07   0.04  -0.04    -0.05  -0.12  -0.07
     7   1     0.06  -0.13  -0.11     0.04  -0.08   0.03    -0.04   0.25   0.28
     8   1     0.07  -0.00  -0.02     0.04  -0.01   0.05    -0.08  -0.02   0.12
     9   1     0.13   0.12  -0.07     0.11   0.19   0.05     0.12  -0.01   0.07
    10   1     0.17  -0.28  -0.11     0.14  -0.07   0.03     0.12  -0.27   0.03
    11   6     0.02   0.14  -0.02    -0.13   0.09  -0.05    -0.03   0.00   0.04
    12   1     0.03  -0.08  -0.09     0.06  -0.05  -0.14     0.02  -0.01   0.03
    13   1    -0.10  -0.05   0.11    -0.07   0.01   0.22     0.30   0.10  -0.02
    14   1     0.03   0.01   0.08    -0.03   0.16  -0.06    -0.03   0.01  -0.16
    15   1    -0.17  -0.10   0.08     0.09  -0.13  -0.00    -0.19  -0.13  -0.05
    16   8    -0.06   0.01  -0.02     0.15  -0.08   0.02    -0.06  -0.01  -0.01
    17   6     0.01   0.01   0.02     0.01   0.01  -0.08    -0.02  -0.00  -0.13
    18   6     0.15   0.02  -0.03    -0.11  -0.08   0.01    -0.08  -0.04   0.02
    19   6    -0.04   0.21   0.09     0.02   0.11   0.03    -0.00   0.03  -0.00
    20   1     0.08   0.06  -0.05     0.06   0.02  -0.20    -0.02   0.01  -0.08
    21   1     0.07   0.02   0.21     0.06  -0.04  -0.01    -0.02   0.02  -0.09
    22   1     0.08   0.06  -0.07     0.05  -0.02  -0.03    -0.02   0.04  -0.20
    23   1     0.39   0.02  -0.05     0.07  -0.09   0.02    -0.05  -0.04   0.01
    24   1     0.03  -0.14  -0.02    -0.24  -0.23   0.04    -0.11  -0.05   0.06
    25   1     0.15  -0.08  -0.03    -0.06  -0.14   0.03    -0.04  -0.07   0.03
    26   1    -0.08   0.30   0.17     0.12  -0.05   0.02     0.01  -0.01  -0.10
    27   1    -0.08   0.08   0.08     0.12   0.07   0.05    -0.00   0.20  -0.01
    28   1    -0.08   0.18   0.12     0.08   0.30   0.13     0.02  -0.02  -0.09
    29   6    -0.04  -0.01  -0.03     0.10   0.08   0.02    -0.05   0.01   0.09
    30   6    -0.01   0.05  -0.00     0.01  -0.08   0.01    -0.06   0.07  -0.00
    31   8     0.10  -0.01   0.00    -0.08   0.09  -0.02     0.10  -0.02  -0.04
    32   1     0.03   0.07   0.01    -0.16  -0.10  -0.01     0.13  -0.02  -0.06
    33   1    -0.07   0.16   0.01     0.17  -0.36  -0.00    -0.13   0.17  -0.11
    34   1     0.09   0.03   0.01    -0.23  -0.05   0.00    -0.13   0.16  -0.07
                     22                     23                     24
                      A                      A                      A
 Frequencies --    594.1335               620.7999               643.4786
 Red. masses --      3.2791                 2.8896                 4.2901
 Frc consts  --      0.6820                 0.6561                 1.0466
 IR Inten    --      1.0149                 3.8869                 3.4528
 RamAct Fr= 1--      3.8387                 0.9333                17.8721
  Dep-P Fr= 1--      0.2814                 0.0779                 0.0257
  Dep-U Fr= 1--      0.4393                 0.1445                 0.0501
 Alpha2 Fr= 1--      0.0416                 0.0172                 0.3740
 Beta2  Fr= 1--      0.2810                 0.0225                 0.1491
 AlphaG Fr= 1--      0.0165                -0.0297                -0.1183
 Gamma2 Fr= 1--      0.5065                -0.1806                -0.9378
 Delta2 Fr= 1--      0.5498                -0.0863                -0.2362
 Raman1 Fr= 1--      15.355                  3.733                 71.489
 ROA1   Fr= 1--      66.217                -20.101                -97.585
 CID1   Fr= 1--       4.313                 -5.384                 -1.365
 Raman2 Fr= 1--       3.372                  0.270                  1.790
 ROA2   Fr= 1--       7.758                 -3.645                -20.617
 CID2   Fr= 1--       2.300                -13.514                -11.521
 Raman3 Fr= 1--       6.745                  0.539                  3.579
 ROA3   Fr= 1--      66.217                -20.101                -97.585
 CID3   Fr= 1--       9.818                -37.265                -27.266
 RC180  Fr= 1--      -0.121                 -0.711                 -0.900
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.07  -0.03    -0.01  -0.04  -0.04    -0.00   0.06   0.03
     2   6    -0.00   0.05   0.01    -0.01   0.03  -0.03     0.02   0.17   0.06
     3   6     0.02   0.04  -0.13    -0.01  -0.05   0.03    -0.10   0.01   0.02
     4   6    -0.02   0.04  -0.12    -0.00  -0.05   0.10    -0.08  -0.09   0.09
     5   6    -0.03  -0.09  -0.08     0.02   0.04   0.06     0.03  -0.16   0.02
     6   6    -0.07  -0.01   0.12     0.03   0.04  -0.02    -0.00   0.08  -0.02
     7   1    -0.04   0.11   0.04     0.01  -0.09  -0.07     0.08  -0.10   0.01
     8   1    -0.05  -0.05  -0.04     0.02   0.00  -0.02     0.07   0.14   0.08
     9   1     0.07   0.18  -0.04    -0.05  -0.05  -0.00     0.03   0.18   0.08
    10   1     0.09  -0.12  -0.11    -0.05   0.11   0.03     0.04   0.18   0.09
    11   6     0.00   0.00  -0.10     0.00  -0.00   0.03     0.04  -0.02  -0.05
    12   1    -0.01   0.01  -0.12     0.05   0.01   0.03    -0.09   0.08   0.06
    13   1    -0.07   0.06   0.09    -0.00  -0.06  -0.02    -0.08  -0.08   0.28
    14   1     0.00   0.21  -0.20     0.05  -0.12   0.18    -0.13   0.06  -0.04
    15   1     0.00  -0.03  -0.17     0.11   0.00   0.08     0.13  -0.15  -0.03
    16   8     0.02  -0.04  -0.02    -0.02  -0.01  -0.14     0.01  -0.16   0.05
    17   6    -0.00  -0.05   0.29     0.00   0.02  -0.07     0.00   0.03  -0.11
    18   6     0.03   0.02  -0.00     0.00  -0.00   0.00     0.10   0.05  -0.02
    19   6     0.00  -0.07  -0.03    -0.00   0.01   0.01     0.00  -0.15  -0.06
    20   1     0.03  -0.05   0.18    -0.01   0.01  -0.04     0.03   0.00  -0.22
    21   1     0.04  -0.09   0.35    -0.01   0.02  -0.10     0.03  -0.03  -0.13
    22   1     0.04  -0.09   0.34    -0.01   0.02  -0.06     0.03  -0.03  -0.01
    23   1     0.00  -0.00   0.09     0.00   0.01  -0.03    -0.00   0.05   0.00
    24   1    -0.06  -0.02   0.08     0.04   0.02  -0.04     0.14   0.11  -0.02
    25   1     0.19   0.08   0.04    -0.06  -0.01  -0.02     0.12   0.12  -0.02
    26   1     0.01  -0.06   0.04    -0.00   0.02   0.00    -0.02  -0.10  -0.02
    27   1     0.02  -0.20  -0.02    -0.00   0.02   0.01     0.01  -0.23  -0.06
    28   1    -0.01  -0.00   0.05    -0.01   0.00   0.01    -0.03  -0.16  -0.02
    29   6     0.01   0.03   0.13    -0.01   0.02   0.29    -0.06   0.03  -0.04
    30   6    -0.01   0.01   0.01    -0.02   0.03   0.03    -0.17   0.15  -0.01
    31   8     0.02   0.01  -0.05     0.01  -0.02  -0.11     0.17   0.01   0.01
    32   1     0.14  -0.13  -0.08     0.40  -0.30  -0.16    -0.23   0.19   0.01
    33   1     0.01  -0.04  -0.13    -0.04   0.02  -0.30    -0.19   0.18   0.03
    34   1    -0.23   0.14  -0.08    -0.44   0.32  -0.19    -0.12   0.10   0.02
                     25                     26                     27
                      A                      A                      A
 Frequencies --    663.2653               750.7562               800.3926
 Red. masses --      3.1828                 2.5498                 2.2414
 Frc consts  --      0.8250                 0.8468                 0.8460
 IR Inten    --      2.6282                 2.4463                 2.0604
 RamAct Fr= 1--      4.9294                 4.4865                 3.7236
  Dep-P Fr= 1--      0.1924                 0.5188                 0.2082
  Dep-U Fr= 1--      0.3227                 0.6832                 0.3446
 Alpha2 Fr= 1--      0.0683                 0.0202                 0.0495
 Beta2  Fr= 1--      0.2651                 0.5108                 0.2138
 AlphaG Fr= 1--      0.0436                -0.0064                -0.0278
 Gamma2 Fr= 1--      0.7485                 0.2378                 0.4644
 Delta2 Fr= 1--      0.2472                 0.4477                -0.2764
 Raman1 Fr= 1--      19.718                 17.946                 14.894
 ROA1   Fr= 1--      79.765                 37.158                 35.734
 CID1   Fr= 1--       4.045                  2.071                  2.399
 Raman2 Fr= 1--       3.182                  6.130                  2.566
 ROA2   Fr= 1--      15.986                  2.126                 13.356
 CID2   Fr= 1--       5.025                  0.347                  5.205
 Raman3 Fr= 1--       6.363                 12.260                  5.132
 ROA3   Fr= 1--      79.765                 37.158                 35.734
 CID3   Fr= 1--      12.535                  3.031                  6.963
 RC180  Fr= 1--      -0.355                  0.366                 -0.311
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.07   0.10     0.01   0.06   0.06     0.07   0.09   0.00
     2   6    -0.00  -0.01   0.07     0.08  -0.08   0.01     0.05   0.14   0.01
     3   6    -0.08   0.08   0.03    -0.09   0.06  -0.04     0.07  -0.03  -0.06
     4   6    -0.07  -0.02   0.05    -0.08  -0.02   0.05    -0.06  -0.12   0.03
     5   6    -0.11  -0.00   0.05     0.03   0.02   0.05    -0.10  -0.11  -0.03
     6   6    -0.11  -0.04  -0.03     0.19  -0.08  -0.01     0.04  -0.04   0.00
     7   1     0.07   0.01   0.03     0.01  -0.00   0.15    -0.08   0.18   0.38
     8   1     0.08   0.14   0.14    -0.08   0.12  -0.03    -0.22  -0.11  -0.19
     9   1     0.08   0.15   0.07    -0.12  -0.47  -0.01    -0.08  -0.13   0.22
    10   1     0.10  -0.14   0.02    -0.20   0.21   0.04    -0.22   0.34  -0.11
    11   6     0.03  -0.00  -0.09    -0.06   0.06  -0.18     0.03  -0.02   0.04
    12   1    -0.12   0.04   0.03    -0.01  -0.01  -0.16     0.14  -0.02  -0.10
    13   1     0.17  -0.04  -0.13     0.08  -0.04  -0.08    -0.21  -0.09   0.28
    14   1    -0.12  -0.29   0.15    -0.13  -0.19   0.09     0.04   0.15  -0.04
    15   1    -0.20  -0.04   0.13     0.02   0.00   0.07    -0.21  -0.04  -0.09
    16   8     0.01   0.08  -0.04     0.01   0.00   0.00    -0.05   0.07  -0.01
    17   6    -0.01   0.01  -0.08     0.04  -0.02   0.05     0.01  -0.01  -0.03
    18   6     0.15   0.07  -0.03    -0.02   0.00  -0.04    -0.02  -0.03   0.01
    19   6     0.01  -0.13  -0.05    -0.01   0.04  -0.02     0.01   0.03   0.02
    20   1     0.07   0.04  -0.26    -0.05  -0.04   0.32    -0.02   0.01   0.09
    21   1     0.07  -0.02   0.10    -0.06   0.05  -0.10    -0.03   0.04  -0.06
    22   1     0.09   0.01  -0.10    -0.07   0.03  -0.03    -0.03   0.05  -0.12
    23   1     0.12   0.06   0.04     0.01  -0.03   0.09    -0.08  -0.02  -0.02
    24   1     0.09   0.05   0.03    -0.22  -0.13   0.09     0.06   0.03  -0.03
    25   1     0.28   0.13  -0.00     0.20   0.05   0.02    -0.10  -0.03  -0.01
    26   1    -0.03  -0.06   0.02     0.03   0.01   0.10    -0.02   0.07  -0.01
    27   1    -0.04  -0.23  -0.06     0.03  -0.20  -0.01    -0.02   0.12   0.02
    28   1    -0.02  -0.14  -0.03    -0.00   0.24   0.15    -0.00  -0.04  -0.04
    29   6     0.06   0.01   0.02    -0.02  -0.02   0.00    -0.01   0.01  -0.00
    30   6     0.14  -0.12   0.01    -0.03   0.02   0.00     0.06  -0.06   0.00
    31   8    -0.09   0.02  -0.01     0.00  -0.02   0.00    -0.01   0.02  -0.00
    32   1     0.15  -0.15  -0.01    -0.01   0.02  -0.00     0.11  -0.05   0.01
    33   1     0.19  -0.19  -0.02    -0.06   0.06  -0.01     0.04  -0.01  -0.00
    34   1     0.07  -0.08  -0.01    -0.02   0.03  -0.00     0.11  -0.05  -0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --    835.4460               849.7820               897.2153
 Red. masses --      1.7711                 2.1290                 2.2565
 Frc consts  --      0.7283                 0.9058                 1.0702
 IR Inten    --      3.9228                 0.5607                 1.3251
 RamAct Fr= 1--      4.6797                 3.1911                 3.1858
  Dep-P Fr= 1--      0.0153                 0.0196                 0.2917
  Dep-U Fr= 1--      0.0301                 0.0385                 0.4517
 Alpha2 Fr= 1--      0.1003                 0.0677                 0.0335
 Beta2  Fr= 1--      0.0234                 0.0205                 0.2398
 AlphaG Fr= 1--     -0.1188                -0.0240                 0.0405
 Gamma2 Fr= 1--      0.2825                -0.2008                 0.9480
 Delta2 Fr= 1--      0.2532                -0.0108                 0.3611
 Raman1 Fr= 1--      18.719                 12.764                 12.743
 ROA1   Fr= 1--      35.223                -19.626                102.565
 CID1   Fr= 1--       1.882                 -1.538                  8.049
 Raman2 Fr= 1--       0.281                  0.246                  2.878
 ROA2   Fr= 1--       4.755                 -4.734                 19.864
 CID2   Fr= 1--      16.902                -19.253                  6.903
 Raman3 Fr= 1--       0.563                  0.492                  5.756
 ROA3   Fr= 1--      35.223                -19.626                102.565
 CID3   Fr= 1--      62.605                -39.909                 17.820
 RC180  Fr= 1--      -0.940                 -0.923                 -0.097
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.06   0.05     0.07   0.07   0.02     0.02   0.09   0.15
     2   6    -0.05  -0.01  -0.00     0.01  -0.09  -0.08    -0.09   0.10  -0.08
     3   6     0.06  -0.03   0.07     0.09  -0.09   0.16     0.06  -0.10  -0.06
     4   6     0.02  -0.11   0.04    -0.07  -0.05  -0.01    -0.07   0.02  -0.07
     5   6     0.05  -0.02  -0.07     0.05   0.07  -0.02    -0.01   0.06   0.09
     6   6     0.05   0.00   0.01    -0.09   0.06   0.02     0.01  -0.08  -0.00
     7   1     0.08   0.03  -0.34    -0.10   0.31   0.24     0.04   0.18  -0.03
     8   1     0.24   0.22   0.26    -0.23   0.08  -0.26     0.14  -0.01   0.29
     9   1     0.05   0.20  -0.29    -0.05  -0.21   0.11    -0.04   0.21  -0.33
    10   1     0.20  -0.21   0.09    -0.20  -0.01  -0.28     0.08  -0.07  -0.08
    11   6    -0.01   0.03  -0.04    -0.03   0.01  -0.03     0.02  -0.01   0.02
    12   1     0.21   0.04  -0.01     0.11  -0.16   0.09     0.05  -0.35  -0.22
    13   1    -0.25  -0.08   0.29    -0.25  -0.05  -0.10    -0.20   0.00  -0.34
    14   1     0.03   0.23  -0.14    -0.16  -0.01  -0.10     0.03  -0.11   0.09
    15   1    -0.02   0.08  -0.17     0.17   0.12  -0.13     0.03  -0.01   0.17
    16   8    -0.02   0.11  -0.01     0.01  -0.03   0.01     0.04  -0.06  -0.00
    17   6     0.02   0.00  -0.01    -0.04   0.03  -0.01     0.01  -0.05  -0.02
    18   6    -0.03   0.00  -0.01     0.03   0.02  -0.02    -0.01  -0.01   0.01
    19   6     0.00  -0.02  -0.03    -0.01  -0.01  -0.02     0.01   0.01   0.02
    20   1    -0.04  -0.03   0.09     0.04   0.01  -0.28     0.02   0.07   0.17
    21   1    -0.03   0.01  -0.14     0.07  -0.07   0.12    -0.02   0.08   0.12
    22   1    -0.05  -0.02   0.04     0.09  -0.05   0.12    -0.01   0.12  -0.30
    23   1     0.00  -0.02   0.04     0.07   0.00   0.04    -0.03  -0.01  -0.01
    24   1    -0.11  -0.05   0.05    -0.07  -0.04   0.05     0.03   0.01  -0.01
    25   1     0.07   0.02   0.02     0.15   0.02   0.01    -0.05  -0.02  -0.00
    26   1     0.01  -0.03   0.03     0.02  -0.05   0.03    -0.02   0.06   0.01
    27   1     0.03  -0.13  -0.02     0.04  -0.13  -0.01    -0.03   0.04   0.01
    28   1    -0.00   0.06   0.06    -0.00   0.09   0.07    -0.01  -0.05  -0.02
    29   6    -0.02  -0.02   0.00     0.01  -0.00  -0.00     0.02  -0.01   0.00
    30   6    -0.00  -0.02   0.00    -0.01   0.02  -0.00    -0.02   0.04  -0.00
    31   8    -0.02  -0.03   0.01     0.00  -0.00   0.00     0.01  -0.01  -0.00
    32   1     0.09  -0.01   0.01    -0.05   0.02  -0.00    -0.10   0.03  -0.01
    33   1    -0.07   0.10  -0.01     0.01  -0.02   0.00     0.03  -0.05   0.00
    34   1     0.08  -0.01  -0.01    -0.05   0.02   0.00    -0.11   0.04   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --    922.8173               931.8169               952.4276
 Red. masses --      2.9725                 2.8888                 1.9633
 Frc consts  --      1.4914                 1.4778                 1.0493
 IR Inten    --      5.2079                 0.4467                 2.5927
 RamAct Fr= 1--      6.7551                 3.2837                 4.2801
  Dep-P Fr= 1--      0.1071                 0.6739                 0.4234
  Dep-U Fr= 1--      0.1936                 0.8052                 0.5949
 Alpha2 Fr= 1--      0.1162                 0.0044                 0.0291
 Beta2  Fr= 1--      0.2179                 0.4407                 0.4244
 AlphaG Fr= 1--      0.0395                 0.0008                -0.0086
 Gamma2 Fr= 1--     -0.7546                -2.9161                -1.3666
 Delta2 Fr= 1--     -0.9611                -0.5242                -1.3097
 Raman1 Fr= 1--      27.020                 13.135                 17.120
 ROA1   Fr= 1--    -103.199               -296.721               -173.100
 CID1   Fr= 1--      -3.819                -22.590                -10.111
 Raman2 Fr= 1--       2.615                  5.288                  5.092
 ROA2   Fr= 1--     -10.423                -65.793                -22.320
 CID2   Fr= 1--      -3.986                -12.442                 -4.383
 Raman3 Fr= 1--       5.230                 10.576                 10.185
 ROA3   Fr= 1--    -103.199               -296.721               -173.100
 CID3   Fr= 1--     -19.733                -28.056                -16.996
 RC180  Fr= 1--      -0.613                  0.610                  0.190
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.05  -0.01     0.01  -0.11   0.05     0.04  -0.02   0.05
     2   6    -0.00   0.12   0.01    -0.02   0.15  -0.12    -0.02  -0.03  -0.06
     3   6    -0.06   0.01   0.03    -0.01  -0.07   0.19    -0.02   0.02  -0.08
     4   6     0.04   0.00  -0.02     0.12   0.08  -0.02    -0.00  -0.00   0.05
     5   6     0.13  -0.01   0.00    -0.04  -0.04  -0.05     0.01  -0.00  -0.04
     6   6    -0.07  -0.10  -0.02     0.02  -0.03  -0.02     0.01   0.03  -0.01
     7   1     0.02  -0.18   0.20     0.03  -0.20   0.11     0.01  -0.00   0.11
     8   1    -0.08  -0.07  -0.09    -0.01  -0.02   0.00    -0.04  -0.10   0.00
     9   1    -0.00   0.09   0.25    -0.08   0.04  -0.05    -0.03  -0.06  -0.05
    10   1    -0.08   0.14  -0.08    -0.07   0.23  -0.09    -0.04  -0.04  -0.12
    11   6    -0.00   0.01  -0.01    -0.06   0.05  -0.02    -0.12   0.08   0.09
    12   1    -0.12   0.06   0.12    -0.16  -0.14   0.27     0.17  -0.12  -0.33
    13   1     0.04   0.01   0.07     0.17   0.08   0.01     0.11  -0.01   0.08
    14   1    -0.04   0.08  -0.14     0.04   0.03  -0.06    -0.00  -0.01   0.05
    15   1     0.01   0.01   0.02    -0.08  -0.09   0.03     0.02   0.01  -0.07
    16   8     0.13   0.17  -0.02    -0.08  -0.04   0.01     0.03   0.03   0.00
    17   6    -0.06  -0.07  -0.00     0.04  -0.05   0.02     0.03   0.01   0.02
    18   6     0.00   0.01  -0.02     0.02   0.05  -0.03     0.06   0.10   0.05
    19   6     0.00   0.00  -0.00    -0.03  -0.03  -0.05    -0.05  -0.12  -0.00
    20   1     0.09   0.15  -0.01    -0.03   0.02   0.37    -0.04  -0.04   0.10
    21   1     0.05   0.04   0.48    -0.07   0.11   0.00    -0.03   0.01  -0.13
    22   1     0.10   0.15  -0.38    -0.08   0.10  -0.22    -0.05  -0.02   0.08
    23   1     0.06  -0.00   0.02     0.21   0.03   0.04     0.47   0.15  -0.18
    24   1    -0.07  -0.06   0.02    -0.18  -0.13   0.06     0.08  -0.07  -0.13
    25   1     0.08  -0.01   0.01     0.18  -0.01   0.02    -0.24  -0.20  -0.02
    26   1    -0.01   0.03   0.01     0.06  -0.16   0.04     0.09  -0.39  -0.20
    27   1    -0.01  -0.01  -0.01     0.08  -0.23  -0.02     0.06   0.16   0.02
    28   1    -0.01  -0.02   0.00     0.00   0.19   0.13     0.08  -0.01  -0.08
    29   6     0.04  -0.09   0.01    -0.04   0.05  -0.00     0.01  -0.02   0.00
    30   6    -0.11   0.06  -0.00     0.06  -0.05   0.00    -0.02   0.01  -0.00
    31   8    -0.05  -0.13   0.02     0.02   0.07  -0.01    -0.01  -0.02   0.00
    32   1    -0.03   0.07   0.01     0.09  -0.05   0.00    -0.01   0.02   0.00
    33   1    -0.22   0.23  -0.01     0.07  -0.06   0.00    -0.04   0.04  -0.00
    34   1    -0.03   0.07  -0.02     0.09  -0.06   0.00    -0.01   0.01  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --    959.4235               963.7622               974.0698
 Red. masses --      1.6099                 1.6562                 1.7766
 Frc consts  --      0.8731                 0.9063                 0.9931
 IR Inten    --      0.2894                 0.6728                 5.8494
 RamAct Fr= 1--      5.0560                 1.5869                 4.8811
  Dep-P Fr= 1--      0.5646                 0.6911                 0.3051
  Dep-U Fr= 1--      0.7217                 0.8173                 0.4676
 Alpha2 Fr= 1--      0.0178                 0.0016                 0.0493
 Beta2  Fr= 1--      0.6082                 0.2162                 0.3804
 AlphaG Fr= 1--      0.0019                 0.0011                 0.0150
 Gamma2 Fr= 1--     -0.2023                 0.6655                 2.3448
 Delta2 Fr= 1--      0.0366                -0.0951                 2.5306
 Raman1 Fr= 1--      20.224                  6.348                 19.525
 ROA1   Fr= 1--     -18.248                 60.847                306.080
 CID1   Fr= 1--      -0.902                  9.586                 15.677
 Raman2 Fr= 1--       7.298                  2.594                  4.564
 ROA2   Fr= 1--      -5.147                 16.733                 36.031
 CID2   Fr= 1--      -0.705                  6.450                  7.894
 Raman3 Fr= 1--      14.596                  5.188                  9.129
 ROA3   Fr= 1--     -18.248                 60.847                306.080
 CID3   Fr= 1--      -1.250                 11.728                 33.529
 RC180  Fr= 1--       0.443                  0.635                 -0.065
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.03  -0.07    -0.02   0.02   0.10     0.07  -0.03   0.05
     2   6    -0.04   0.03   0.04     0.03  -0.02  -0.08    -0.07   0.02  -0.09
     3   6     0.07   0.01   0.03    -0.08  -0.01  -0.04    -0.03  -0.02   0.01
     4   6    -0.08   0.02   0.03     0.09  -0.02  -0.02    -0.02   0.06   0.05
     5   6    -0.02  -0.01  -0.04     0.03  -0.01   0.02    -0.00  -0.09  -0.02
     6   6     0.02  -0.01   0.00    -0.02   0.02  -0.01     0.02   0.06   0.00
     7   1    -0.07   0.16  -0.04     0.09  -0.19   0.05    -0.02   0.09   0.16
     8   1    -0.00  -0.21  -0.04     0.05   0.18   0.12    -0.03  -0.21   0.02
     9   1     0.05   0.21   0.03    -0.06  -0.19  -0.13    -0.02   0.12  -0.15
    10   1     0.11  -0.10   0.08    -0.10   0.10  -0.11     0.01  -0.12  -0.19
    11   6    -0.06  -0.06  -0.01    -0.02  -0.06  -0.01     0.06  -0.01  -0.02
    12   1     0.11   0.07   0.04    -0.12  -0.13  -0.09    -0.18  -0.19   0.02
    13   1     0.06   0.00  -0.12     0.01   0.00   0.17     0.31   0.03   0.01
    14   1    -0.20  -0.16   0.03     0.19   0.17  -0.03    -0.14  -0.18   0.07
    15   1    -0.03  -0.02  -0.02     0.06   0.02  -0.02    -0.11  -0.12   0.05
    16   8     0.03   0.01   0.01    -0.02   0.01  -0.01     0.04   0.07  -0.00
    17   6     0.04  -0.01  -0.01    -0.04   0.02   0.02     0.02   0.07   0.02
    18   6     0.08  -0.02  -0.04     0.07  -0.05  -0.02    -0.02  -0.05   0.03
    19   6    -0.08   0.04   0.03    -0.05   0.04   0.05     0.03   0.04  -0.04
    20   1    -0.04  -0.02   0.19     0.04   0.02  -0.20    -0.04  -0.09  -0.09
    21   1    -0.05   0.05  -0.14     0.06  -0.06   0.14     0.00  -0.06  -0.25
    22   1    -0.08   0.02  -0.06     0.08  -0.03   0.10    -0.03  -0.12   0.33
    23   1    -0.26  -0.04   0.09    -0.35  -0.05   0.06    -0.19  -0.02  -0.05
    24   1     0.15   0.18   0.06     0.24   0.22   0.01     0.15   0.10  -0.06
    25   1     0.24   0.23  -0.01     0.12   0.22  -0.02    -0.18  -0.02  -0.02
    26   1     0.14  -0.34  -0.12     0.09  -0.23  -0.13    -0.03   0.18   0.17
    27   1     0.14   0.21   0.08     0.08   0.29   0.07    -0.01  -0.28  -0.04
    28   1     0.10   0.35   0.07     0.09   0.19  -0.02    -0.06   0.06   0.11
    29   6     0.01  -0.01  -0.00    -0.01   0.01   0.00     0.00  -0.02   0.00
    30   6    -0.01   0.02  -0.00     0.00  -0.02   0.00    -0.03  -0.01   0.00
    31   8    -0.01  -0.02   0.00     0.00   0.01  -0.00    -0.02  -0.03   0.00
    32   1    -0.04   0.02  -0.00     0.06  -0.02   0.01     0.06   0.01   0.01
    33   1    -0.00   0.00   0.00    -0.03   0.04  -0.00    -0.11   0.12  -0.01
    34   1    -0.03   0.01   0.00     0.06  -0.02  -0.01     0.06  -0.00  -0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --    998.5676              1008.0222              1023.8808
 Red. masses --      1.9984                 1.9673                 1.4903
 Frc consts  --      1.1740                 1.1778                 0.9205
 IR Inten    --      4.3657                 1.2269                17.0670
 RamAct Fr= 1--      3.0716                 6.1148                 1.5744
  Dep-P Fr= 1--      0.7081                 0.0331                 0.7497
  Dep-U Fr= 1--      0.8291                 0.0640                 0.8569
 Alpha2 Fr= 1--      0.0022                 0.1257                 0.0000
 Beta2  Fr= 1--      0.4244                 0.0652                 0.2249
 AlphaG Fr= 1--     -0.0048                -0.0742                 0.0008
 Gamma2 Fr= 1--     -1.1240                 0.0790                 0.4569
 Delta2 Fr= 1--     -1.1734                 0.3936                 0.4986
 Raman1 Fr= 1--      12.286                 24.459                  6.298
 ROA1   Fr= 1--    -145.454                 20.183                 59.823
 CID1   Fr= 1--     -11.839                  0.825                  9.499
 Raman2 Fr= 1--       5.093                  0.783                  2.698
 ROA2   Fr= 1--     -17.590                 -1.252                  6.977
 CID2   Fr= 1--      -3.454                 -1.599                  2.586
 Raman3 Fr= 1--      10.186                  1.565                  5.397
 ROA3   Fr= 1--    -145.454                 20.183                 59.823
 CID3   Fr= 1--     -14.279                 12.895                 11.085
 RC180  Fr= 1--       0.658                 -0.872                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.12   0.08     0.02   0.01  -0.03    -0.00   0.00  -0.02
     2   6    -0.02   0.03  -0.10    -0.01  -0.02   0.03    -0.00   0.01  -0.01
     3   6     0.04   0.13  -0.00     0.01   0.02  -0.03     0.01  -0.03   0.01
     4   6    -0.09  -0.02   0.08    -0.05   0.01  -0.05    -0.01   0.01  -0.06
     5   6     0.04   0.03  -0.06     0.14  -0.04   0.09    -0.02  -0.05   0.08
     6   6    -0.00   0.01  -0.03     0.01  -0.00   0.01     0.01   0.02   0.02
     7   1     0.05  -0.15   0.09    -0.04   0.11  -0.02    -0.01   0.01  -0.01
     8   1     0.10  -0.30   0.19    -0.01  -0.10  -0.02    -0.01   0.04  -0.04
     9   1    -0.06  -0.05  -0.18     0.02   0.05   0.01    -0.01   0.00  -0.01
    10   1    -0.01   0.07  -0.03     0.06  -0.08   0.05    -0.01  -0.00  -0.04
    11   6     0.03  -0.00  -0.01    -0.00   0.02   0.01    -0.00   0.01   0.01
    12   1     0.23   0.25  -0.07     0.03  -0.00  -0.06    -0.12  -0.11   0.06
    13   1     0.07  -0.03   0.05    -0.02   0.01  -0.12    -0.07   0.01  -0.09
    14   1    -0.27  -0.11  -0.03    -0.21  -0.06  -0.15     0.06   0.02  -0.01
    15   1     0.13   0.11  -0.20     0.23  -0.04   0.07    -0.08  -0.12   0.18
    16   8    -0.04  -0.02   0.02    -0.04  -0.00   0.01     0.06   0.02  -0.01
    17   6    -0.03  -0.02   0.03    -0.03  -0.03  -0.02     0.03   0.06  -0.01
    18   6    -0.03  -0.01  -0.04     0.00   0.00   0.03    -0.03   0.03  -0.08
    19   6     0.05  -0.01   0.06    -0.03  -0.00  -0.02     0.01  -0.03   0.07
    20   1     0.03   0.04  -0.05     0.05   0.07  -0.05    -0.06  -0.10  -0.04
    21   1     0.03  -0.02   0.20     0.03   0.01   0.17    -0.02  -0.03  -0.30
    22   1     0.05   0.02  -0.02     0.05   0.05  -0.15    -0.05  -0.08   0.23
    23   1    -0.07  -0.05   0.11     0.03   0.03  -0.07     0.09  -0.04   0.16
    24   1    -0.17  -0.06   0.09     0.10   0.03  -0.06    -0.35  -0.16   0.16
    25   1     0.20   0.07   0.02    -0.16  -0.05  -0.01     0.36   0.06   0.03
    26   1    -0.08   0.16  -0.09     0.04  -0.10   0.00    -0.03  -0.02  -0.17
    27   1    -0.11   0.25   0.01     0.04  -0.07  -0.00    -0.07   0.34   0.05
    28   1    -0.00  -0.32  -0.19     0.00   0.11   0.06     0.04  -0.25  -0.19
    29   6    -0.01   0.01  -0.00    -0.09   0.05  -0.00    -0.01  -0.00   0.00
    30   6     0.02  -0.01   0.00    -0.02  -0.14   0.02    -0.04  -0.04   0.00
    31   8     0.01   0.02  -0.00     0.02   0.09  -0.01    -0.01   0.00  -0.00
    32   1     0.02  -0.02  -0.00     0.44  -0.11   0.05     0.14  -0.01   0.02
    33   1     0.02  -0.02  -0.00    -0.29   0.34  -0.03    -0.16   0.18  -0.01
    34   1     0.02  -0.01   0.00     0.40  -0.08  -0.07     0.13  -0.01  -0.03
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1049.0645              1057.8776              1068.4219
 Red. masses --      2.4918                 2.0512                 1.8246
 Frc consts  --      1.6157                 1.3525                 1.2271
 IR Inten    --     28.4579                61.1047                 7.4996
 RamAct Fr= 1--      0.7811                 2.2205                 0.0716
  Dep-P Fr= 1--      0.6429                 0.5065                 0.6016
  Dep-U Fr= 1--      0.7826                 0.6724                 0.7513
 Alpha2 Fr= 1--      0.0015                 0.0106                 0.0002
 Beta2  Fr= 1--      0.1019                 0.2488                 0.0090
 AlphaG Fr= 1--     -0.0136                -0.0159                 0.0074
 Gamma2 Fr= 1--      0.8788                 0.8632                -0.1483
 Delta2 Fr= 1--      0.0226                -0.0020                -0.0304
 Raman1 Fr= 1--       3.124                  8.882                  0.286
 ROA1   Fr= 1--      85.085                 82.802                -15.207
 CID1   Fr= 1--      27.232                  9.322                -53.099
 Raman2 Fr= 1--       1.223                  2.986                  0.108
 ROA2   Fr= 1--      20.910                 20.732                 -3.316
 CID2   Fr= 1--      17.102                  6.943                -30.824
 Raman3 Fr= 1--       2.445                  5.972                  0.215
 ROA3   Fr= 1--      85.085                 82.802                -15.207
 CID3   Fr= 1--      34.796                 13.864                -70.679
 RC180  Fr= 1--       0.565                  0.345                  0.503
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.07   0.02     0.08   0.04  -0.02     0.01   0.00  -0.00
     2   6    -0.00  -0.01  -0.05    -0.09  -0.03   0.04    -0.01  -0.00   0.00
     3   6     0.06   0.11   0.01    -0.11  -0.02  -0.06    -0.01   0.00  -0.01
     4   6    -0.03  -0.05  -0.15     0.04  -0.03   0.03    -0.00  -0.01  -0.00
     5   6     0.03  -0.08   0.20     0.15   0.02   0.02     0.02  -0.00   0.01
     6   6     0.03   0.01   0.04    -0.01  -0.00   0.03     0.00   0.00   0.01
     7   1     0.03  -0.11   0.07    -0.03   0.12   0.22    -0.00   0.01   0.03
     8   1     0.05  -0.23   0.09    -0.13  -0.11  -0.16    -0.01  -0.03  -0.01
     9   1    -0.03  -0.06  -0.10     0.06   0.27   0.12     0.00   0.02   0.01
    10   1    -0.01   0.00  -0.05     0.05  -0.34  -0.22     0.01  -0.04  -0.02
    11   6     0.02   0.05   0.02     0.01  -0.02   0.00     0.00   0.00   0.00
    12   1    -0.03   0.29   0.20    -0.32  -0.17  -0.00    -0.03  -0.00   0.01
    13   1    -0.21  -0.02   0.01     0.12  -0.02   0.18    -0.00  -0.00   0.01
    14   1    -0.11   0.15  -0.33     0.05   0.05  -0.01     0.00   0.01  -0.00
    15   1    -0.07  -0.07   0.23     0.21   0.08  -0.08     0.04  -0.00   0.00
    16   8    -0.08   0.05  -0.02    -0.12   0.01   0.01    -0.02   0.00  -0.03
    17   6     0.00   0.04  -0.03     0.05  -0.02  -0.03     0.00  -0.00  -0.00
    18   6    -0.02  -0.01   0.02    -0.01   0.01  -0.04    -0.00   0.00  -0.00
    19   6    -0.05  -0.03  -0.04     0.01   0.00   0.03    -0.00  -0.00   0.00
    20   1     0.00  -0.01  -0.12    -0.04  -0.02   0.21    -0.00  -0.00   0.02
    21   1     0.02  -0.02  -0.10    -0.06   0.08  -0.15    -0.00   0.01  -0.01
    22   1     0.02  -0.03   0.07    -0.09   0.04  -0.11    -0.01   0.01  -0.02
    23   1    -0.00   0.01  -0.02     0.01  -0.02   0.08     0.00  -0.00   0.01
    24   1     0.01   0.00  -0.01    -0.14  -0.05   0.07    -0.01  -0.01   0.01
    25   1    -0.08  -0.03   0.00     0.17   0.03   0.01     0.01   0.00   0.00
    26   1     0.08  -0.22  -0.02    -0.03   0.06  -0.03     0.00  -0.01  -0.00
    27   1     0.10  -0.09  -0.00    -0.04   0.10   0.01     0.00   0.01   0.00
    28   1     0.03   0.20   0.08    -0.00  -0.10  -0.06     0.00   0.00  -0.00
    29   6     0.03  -0.01  -0.01    -0.00   0.01  -0.03     0.01   0.02   0.20
    30   6     0.05   0.07   0.00     0.06   0.03   0.02     0.00  -0.01  -0.17
    31   8    -0.01  -0.05   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.04
    32   1    -0.20  -0.00  -0.05    -0.06  -0.06  -0.04    -0.42   0.45   0.13
    33   1     0.24  -0.25  -0.01     0.17  -0.18  -0.03     0.03   0.01   0.36
    34   1    -0.25   0.07   0.03    -0.16   0.06   0.01     0.41  -0.43   0.18
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1071.2153              1107.5730              1138.9593
 Red. masses --      1.9177                 1.2571                 1.6063
 Frc consts  --      1.2965                 0.9086                 1.2277
 IR Inten    --     64.0902                 4.5976                19.2466
 RamAct Fr= 1--      5.4244                 5.8858                 2.8653
  Dep-P Fr= 1--      0.6970                 0.7493                 0.7120
  Dep-U Fr= 1--      0.8214                 0.8567                 0.8318
 Alpha2 Fr= 1--      0.0050                 0.0001                 0.0019
 Beta2  Fr= 1--      0.7426                 0.8404                 0.3972
 AlphaG Fr= 1--      0.0126                -0.0008                -0.0063
 Gamma2 Fr= 1--      1.0307                -1.5377                 0.1409
 Delta2 Fr= 1--     -0.0891                -0.6711                 0.5778
 Raman1 Fr= 1--      21.697                 23.543                 11.461
 ROA1   Fr= 1--      96.096               -169.095                 32.015
 CID1   Fr= 1--       4.429                 -7.182                  2.793
 Raman2 Fr= 1--       8.912                 10.084                  4.767
 ROA2   Fr= 1--      25.450                -31.536                 -1.241
 CID2   Fr= 1--       2.856                 -3.127                 -0.260
 Raman3 Fr= 1--      17.823                 20.169                  9.533
 ROA3   Fr= 1--      96.096               -169.095                 32.015
 CID3   Fr= 1--       5.392                 -8.384                  3.358
 RC180  Fr= 1--       0.643                  0.713                  0.664
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.02   0.04    -0.03  -0.01   0.02     0.01  -0.05  -0.01
     2   6    -0.04  -0.04  -0.03    -0.01   0.00  -0.00     0.01  -0.05  -0.03
     3   6    -0.02   0.08  -0.02     0.00   0.01   0.03     0.00   0.03   0.04
     4   6     0.02  -0.08  -0.02     0.01   0.01  -0.00     0.00  -0.02  -0.04
     5   6    -0.10   0.12   0.02     0.05  -0.01   0.00    -0.07  -0.00   0.08
     6   6    -0.04   0.00   0.05    -0.06  -0.00  -0.06    -0.02   0.11   0.00
     7   1     0.06  -0.16   0.23     0.08  -0.29   0.09    -0.08   0.26  -0.18
     8   1    -0.02  -0.15   0.02    -0.07   0.33  -0.12    -0.05   0.13  -0.12
     9   1     0.02   0.08   0.08     0.06   0.12   0.31     0.03  -0.01   0.08
    10   1    -0.04  -0.18  -0.25    -0.07  -0.07  -0.22     0.05   0.08   0.25
    11   6     0.01  -0.00   0.02    -0.00   0.04  -0.03    -0.01   0.08  -0.03
    12   1    -0.10   0.37   0.23     0.36   0.09  -0.21    -0.06  -0.37  -0.17
    13   1    -0.21  -0.05   0.13    -0.22   0.01  -0.24     0.25  -0.00   0.31
    14   1     0.26   0.19   0.04    -0.09  -0.02  -0.07    -0.16   0.07  -0.22
    15   1     0.06   0.17  -0.10    -0.07  -0.13   0.20     0.04   0.11  -0.11
    16   8     0.10  -0.06  -0.01    -0.02   0.00   0.00     0.03   0.01  -0.02
    17   6     0.06  -0.01  -0.03     0.06   0.00   0.03     0.03  -0.07  -0.01
    18   6     0.00  -0.02  -0.00     0.01  -0.05   0.02     0.01  -0.05   0.01
    19   6     0.00   0.00  -0.04     0.02  -0.01   0.01     0.03  -0.03   0.02
    20   1    -0.05  -0.03   0.23    -0.06  -0.07   0.22     0.02   0.06   0.26
    21   1    -0.08   0.09  -0.21    -0.05   0.05  -0.16    -0.07   0.13   0.05
    22   1    -0.11   0.04  -0.12    -0.11  -0.02   0.07    -0.06   0.08  -0.24
    23   1    -0.07  -0.02   0.01    -0.18  -0.02  -0.03    -0.20  -0.04  -0.00
    24   1     0.03   0.03   0.01     0.16   0.11  -0.03     0.13   0.12   0.00
    25   1     0.01   0.02  -0.00    -0.08   0.06  -0.01    -0.03   0.10  -0.01
    26   1     0.02   0.01   0.08    -0.03   0.07  -0.02    -0.04   0.06  -0.05
    27   1     0.04  -0.16  -0.03    -0.05   0.02  -0.01    -0.06   0.03  -0.01
    28   1    -0.02   0.10   0.09    -0.01  -0.13  -0.06     0.01  -0.18  -0.09
    29   6    -0.01  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.01   0.00
    30   6    -0.05  -0.04   0.01     0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   8     0.00   0.03  -0.00     0.00   0.00  -0.00    -0.00  -0.01  -0.00
    32   1     0.14  -0.01   0.03    -0.00   0.00  -0.00    -0.01   0.00  -0.00
    33   1    -0.18   0.18  -0.01     0.01  -0.01   0.00    -0.00   0.00   0.00
    34   1     0.13  -0.01  -0.03     0.00  -0.00   0.00    -0.01   0.00   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1163.4795              1173.0882              1191.4361
 Red. masses --      2.2287                 2.1033                 1.8827
 Frc consts  --      1.7776                 1.7054                 1.5746
 IR Inten    --     10.3483                 2.2773                11.9063
 RamAct Fr= 1--      2.1148                 2.3628                 2.9838
  Dep-P Fr= 1--      0.5837                 0.7500                 0.4453
  Dep-U Fr= 1--      0.7371                 0.8571                 0.6163
 Alpha2 Fr= 1--      0.0066                 0.0000                 0.0186
 Beta2  Fr= 1--      0.2598                 0.3375                 0.3065
 AlphaG Fr= 1--     -0.0164                -0.0000                -0.0276
 Gamma2 Fr= 1--      1.6906                 0.3885                -1.3507
 Delta2 Fr= 1--      0.7923                 0.1778                -0.1750
 Raman1 Fr= 1--       8.459                  9.451                 11.935
 ROA1   Fr= 1--     187.648                 42.990               -135.263
 CID1   Fr= 1--      22.183                  4.549                -11.333
 Raman2 Fr= 1--       3.118                  4.050                  3.678
 ROA2   Fr= 1--      34.235                  7.902                -31.016
 CID2   Fr= 1--      10.981                  1.951                 -8.434
 Raman3 Fr= 1--       6.236                  8.101                  7.355
 ROA3   Fr= 1--     187.648                 42.990               -135.263
 CID3   Fr= 1--      30.093                  5.307                -18.390
 RC180  Fr= 1--       0.474                  0.714                  0.233
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.01   0.02     0.09  -0.01  -0.01     0.01  -0.03  -0.04
     2   6     0.04  -0.04  -0.02    -0.08  -0.02   0.00    -0.07   0.04   0.04
     3   6     0.07  -0.01  -0.07    -0.04   0.02   0.04    -0.03   0.01   0.04
     4   6    -0.08   0.07   0.02    -0.01  -0.05   0.01     0.02   0.02  -0.02
     5   6     0.01  -0.10  -0.05    -0.02   0.02  -0.04    -0.07   0.05   0.01
     6   6    -0.01   0.08   0.12     0.11   0.02  -0.14     0.13  -0.09   0.14
     7   1     0.05  -0.20  -0.08    -0.02   0.12   0.15     0.05  -0.26   0.16
     8   1     0.01   0.29  -0.00    -0.11   0.03  -0.20    -0.12   0.21  -0.24
     9   1     0.03  -0.07   0.17     0.05   0.22   0.03    -0.02   0.14  -0.07
    10   1    -0.09  -0.03  -0.23     0.13  -0.09   0.23     0.03  -0.20  -0.20
    11   6     0.12   0.10   0.09     0.09   0.14  -0.02     0.02   0.04   0.01
    12   1    -0.08  -0.03   0.03    -0.15  -0.01   0.11     0.35  -0.16  -0.38
    13   1     0.06   0.04  -0.18    -0.26  -0.05  -0.08     0.18   0.03   0.13
    14   1     0.24  -0.15   0.42     0.36   0.05   0.29    -0.15   0.03  -0.18
    15   1     0.18  -0.01  -0.22    -0.20  -0.12   0.19    -0.05   0.13  -0.11
    16   8    -0.01   0.04   0.01    -0.00  -0.02   0.01     0.02  -0.03  -0.01
    17   6    -0.00  -0.04  -0.06    -0.06  -0.02   0.06    -0.06   0.04  -0.05
    18   6    -0.05  -0.03  -0.04    -0.04  -0.04   0.01    -0.01  -0.02  -0.02
    19   6    -0.04  -0.04  -0.04    -0.04  -0.06   0.02    -0.00  -0.02  -0.01
    20   1     0.04   0.08   0.04     0.05   0.07  -0.08     0.05   0.04  -0.34
    21   1    -0.04   0.08   0.04     0.07  -0.07   0.31     0.07  -0.11   0.02
    22   1    -0.00   0.09  -0.27     0.12  -0.03   0.08     0.14   0.00  -0.01
    23   1    -0.14  -0.07   0.13    -0.13  -0.03   0.00    -0.08  -0.03   0.04
    24   1    -0.16  -0.02   0.12    -0.01   0.02   0.01    -0.03   0.01   0.03
    25   1     0.11   0.05   0.01    -0.08   0.01  -0.00     0.03   0.04  -0.00
    26   1     0.07  -0.20   0.01     0.04  -0.22  -0.14     0.00  -0.02  -0.00
    27   1     0.11  -0.10  -0.00     0.06   0.11   0.03     0.01  -0.02  -0.01
    28   1     0.01   0.12   0.05     0.08   0.02  -0.09     0.02   0.02  -0.00
    29   6     0.01  -0.00  -0.00    -0.00   0.00  -0.00    -0.04  -0.00   0.00
    30   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.01   0.00  -0.00
    31   8    -0.01  -0.01   0.00     0.00   0.00  -0.00     0.01   0.01  -0.00
    32   1    -0.01   0.00  -0.00     0.01  -0.00   0.00    -0.01  -0.01  -0.01
    33   1     0.00   0.00  -0.00    -0.01   0.01  -0.00     0.03  -0.04   0.01
    34   1    -0.01   0.01  -0.00     0.01  -0.00  -0.00    -0.00  -0.01   0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1225.4023              1235.4490              1254.9673
 Red. masses --      1.9666                 1.6986                 1.8172
 Frc consts  --      1.7399                 1.5276                 1.6862
 IR Inten    --      2.6165                 0.6364                 5.7603
 RamAct Fr= 1--      6.7820                 2.0771                 6.6887
  Dep-P Fr= 1--      0.7500                 0.7418                 0.6405
  Dep-U Fr= 1--      0.8571                 0.8518                 0.7809
 Alpha2 Fr= 1--      0.0000                 0.0003                 0.0132
 Beta2  Fr= 1--      0.9688                 0.2949                 0.8705
 AlphaG Fr= 1--     -0.0002                 0.0004                 0.0192
 Gamma2 Fr= 1--      0.5234                -0.4266                 3.1726
 Delta2 Fr= 1--      0.2167                 0.1056                 1.1214
 Raman1 Fr= 1--      27.128                  8.308                 26.755
 ROA1   Fr= 1--      57.181                -37.579                340.458
 CID1   Fr= 1--       2.108                 -4.523                 12.725
 Raman2 Fr= 1--      11.626                  3.538                 10.446
 ROA2   Fr= 1--      10.827                -11.084                 67.172
 CID2   Fr= 1--       0.931                 -3.133                  6.430
 Raman3 Fr= 1--      23.252                  7.077                 20.892
 ROA3   Fr= 1--      57.181                -37.579                340.458
 CID3   Fr= 1--       2.459                 -5.310                 16.296
 RC180  Fr= 1--       0.714                  0.704                  0.562
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.01    -0.07  -0.01   0.03    -0.04   0.01  -0.04
     2   6     0.01  -0.02  -0.04     0.01   0.02  -0.02     0.08   0.04   0.03
     3   6    -0.04   0.05  -0.03     0.06   0.00  -0.03    -0.03  -0.01   0.03
     4   6    -0.00  -0.04  -0.01    -0.03  -0.02   0.03     0.02  -0.01   0.02
     5   6     0.02   0.04   0.00    -0.01   0.07   0.02     0.03   0.04  -0.03
     6   6    -0.01  -0.01  -0.09    -0.01  -0.06  -0.06    -0.02  -0.11   0.02
     7   1    -0.02   0.09  -0.08    -0.02   0.03  -0.17    -0.10   0.25  -0.23
     8   1     0.02  -0.04   0.04     0.05   0.14   0.09     0.19  -0.51   0.33
     9   1     0.07   0.08   0.27     0.10   0.16   0.47     0.01  -0.12   0.11
    10   1     0.04   0.12   0.23    -0.08   0.00  -0.22    -0.12  -0.01  -0.37
    11   6     0.01  -0.04   0.22     0.14  -0.03  -0.06    -0.03   0.18   0.02
    12   1     0.17  -0.20  -0.37    -0.21  -0.17   0.09    -0.12  -0.14   0.01
    13   1     0.05  -0.02   0.11     0.24  -0.02   0.25    -0.06  -0.01  -0.02
    14   1    -0.02   0.05  -0.08    -0.27  -0.01  -0.19     0.03   0.03   0.01
    15   1    -0.12  -0.09   0.22    -0.06   0.11  -0.02     0.02   0.00   0.03
    16   8    -0.01  -0.01  -0.00     0.01  -0.03  -0.00     0.00  -0.01   0.00
    17   6    -0.01   0.02   0.03     0.01   0.03   0.02     0.00   0.03  -0.01
    18   6    -0.00   0.00  -0.09    -0.05   0.03   0.03     0.02  -0.07  -0.01
    19   6     0.00   0.02  -0.09    -0.07  -0.00   0.02     0.02  -0.04  -0.01
    20   1    -0.02  -0.02   0.00    -0.03  -0.05  -0.00    -0.03  -0.05  -0.07
    21   1     0.02  -0.03   0.04     0.02  -0.04  -0.05     0.03  -0.06  -0.09
    22   1     0.00  -0.04   0.13    -0.01  -0.04   0.12     0.01  -0.03   0.09
    23   1    -0.01  -0.07   0.20     0.10   0.03  -0.03    -0.24  -0.05   0.01
    24   1    -0.17   0.01   0.15    -0.10  -0.13  -0.05     0.10   0.13   0.06
    25   1     0.31   0.08   0.00    -0.13  -0.16   0.02    -0.03   0.15  -0.03
    26   1     0.05   0.01   0.22     0.04  -0.19  -0.07    -0.01  -0.02  -0.06
    27   1     0.07  -0.32  -0.06     0.13   0.14   0.06    -0.05  -0.07  -0.02
    28   1    -0.10   0.12   0.18     0.10   0.21  -0.02    -0.01  -0.13  -0.06
    29   6     0.02   0.00   0.00    -0.01   0.00   0.00    -0.03   0.00   0.00
    30   6    -0.01  -0.00   0.00    -0.00  -0.00  -0.00     0.01   0.00  -0.00
    31   8    -0.00   0.00  -0.00     0.00   0.01  -0.00     0.01   0.00  -0.00
    32   1     0.01   0.01   0.01     0.01   0.00   0.00     0.00  -0.01  -0.01
    33   1    -0.02   0.02  -0.00    -0.00   0.00   0.00     0.03  -0.03   0.00
    34   1     0.01   0.01  -0.01     0.01  -0.00  -0.00     0.00  -0.02   0.01
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1261.9467              1270.7586              1284.0382
 Red. masses --      1.6457                 3.7774                 1.6468
 Frc consts  --      1.5441                 3.5939                 1.5997
 IR Inten    --      2.8567               433.3801                 0.4647
 RamAct Fr= 1--      2.1038                 2.3557                 5.7944
  Dep-P Fr= 1--      0.6922                 0.4405                 0.7447
  Dep-U Fr= 1--      0.8181                 0.6116                 0.8537
 Alpha2 Fr= 1--      0.0021                 0.0150                 0.0005
 Beta2  Fr= 1--      0.2869                 0.2401                 0.8244
 AlphaG Fr= 1--      0.0046                -0.0271                -0.0018
 Gamma2 Fr= 1--     -1.0976                -0.5194                -2.8906
 Delta2 Fr= 1--     -0.8484                -0.3468                -0.9405
 Raman1 Fr= 1--       8.415                  9.423                 23.178
 ROA1   Fr= 1--    -132.522                -60.960               -307.588
 CID1   Fr= 1--     -15.748                 -6.469                -13.271
 Raman2 Fr= 1--       3.442                  2.881                  9.893
 ROA2   Fr= 1--     -19.556                 -9.691                -61.850
 CID2   Fr= 1--      -5.681                 -3.363                 -6.252
 Raman3 Fr= 1--       6.884                  5.763                 19.786
 ROA3   Fr= 1--    -132.522                -60.960               -307.588
 CID3   Fr= 1--     -19.249                -10.578                -15.546
 RC180  Fr= 1--       0.636                  0.223                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.07  -0.01    -0.00  -0.03  -0.01    -0.03  -0.04   0.04
     2   6     0.02  -0.04   0.04     0.01   0.02   0.02     0.00  -0.01  -0.03
     3   6    -0.04  -0.11  -0.04     0.00   0.03   0.02    -0.02   0.03   0.03
     4   6     0.05   0.01   0.04     0.01  -0.01   0.00    -0.01  -0.00  -0.05
     5   6    -0.03   0.03  -0.03     0.01   0.01  -0.00    -0.01  -0.03  -0.01
     6   6     0.02   0.13  -0.01     0.02  -0.01   0.05     0.13   0.09   0.02
     7   1     0.04  -0.07   0.08    -0.03   0.05  -0.06    -0.10   0.29  -0.26
     8   1     0.05  -0.21   0.12    -0.00  -0.00  -0.02     0.06  -0.07   0.13
     9   1    -0.02  -0.09  -0.16    -0.03  -0.05  -0.10     0.11   0.16   0.48
    10   1    -0.07  -0.12  -0.23    -0.04  -0.03  -0.13    -0.10  -0.16  -0.45
    11   6     0.06   0.03   0.03    -0.01   0.01  -0.02    -0.08  -0.09  -0.03
    12   1     0.13   0.28   0.08    -0.05  -0.13  -0.06     0.11   0.08  -0.04
    13   1     0.08   0.01   0.04    -0.02  -0.00   0.05    -0.01   0.00   0.04
    14   1    -0.42  -0.03  -0.35     0.01   0.01  -0.01     0.23   0.02   0.15
    15   1    -0.34  -0.17   0.33    -0.35   0.12  -0.03    -0.10  -0.11   0.13
    16   8     0.01  -0.01  -0.01    -0.17  -0.07   0.00     0.00   0.00   0.00
    17   6    -0.01  -0.06  -0.00    -0.00  -0.00  -0.01    -0.04  -0.03  -0.01
    18   6    -0.02  -0.00  -0.02     0.01  -0.01   0.01     0.01   0.03   0.00
    19   6    -0.02  -0.01   0.01     0.01  -0.01   0.00     0.03   0.02   0.01
    20   1     0.06   0.10   0.08     0.01   0.01  -0.05     0.07   0.12  -0.04
    21   1    -0.04   0.08   0.15    -0.01   0.00  -0.03     0.02  -0.02   0.15
    22   1     0.02   0.04  -0.15     0.01   0.02  -0.04     0.12   0.02  -0.09
    23   1    -0.02  -0.02   0.06    -0.02   0.00  -0.02     0.11   0.03  -0.04
    24   1    -0.08  -0.02   0.04     0.03   0.02  -0.01     0.03  -0.01  -0.05
    25   1     0.05  -0.00  -0.00    -0.04   0.01  -0.00     0.03  -0.02   0.01
    26   1     0.02  -0.07  -0.03    -0.01   0.02  -0.02    -0.04   0.13   0.02
    27   1     0.04   0.02   0.02    -0.01   0.01  -0.00    -0.07   0.04  -0.01
    28   1     0.03   0.03  -0.02     0.02  -0.00  -0.01    -0.02  -0.04   0.02
    29   6     0.00   0.00   0.00     0.43   0.01  -0.02    -0.01   0.00  -0.00
    30   6    -0.00  -0.00   0.00    -0.10  -0.04   0.01     0.00   0.00  -0.00
    31   8    -0.00  -0.00  -0.00    -0.05   0.02  -0.00     0.00  -0.00   0.00
    32   1     0.00   0.00   0.00     0.02   0.22   0.16     0.00  -0.01  -0.01
    33   1    -0.01   0.01   0.00    -0.41   0.47  -0.04     0.01  -0.02   0.00
    34   1     0.00   0.00  -0.00     0.01   0.21  -0.20    -0.00  -0.01   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1308.0892              1313.3202              1336.6931
 Red. masses --      1.9067                 1.6191                 1.4825
 Frc consts  --      1.9223                 1.6454                 1.5606
 IR Inten    --      0.3603                 6.7086                 5.0582
 RamAct Fr= 1--      3.5639                 2.5614                 5.6613
  Dep-P Fr= 1--      0.6068                 0.5580                 0.7499
  Dep-U Fr= 1--      0.7553                 0.7163                 0.8571
 Alpha2 Fr= 1--      0.0094                 0.0094                 0.0000
 Beta2  Fr= 1--      0.4486                 0.3058                 0.8087
 AlphaG Fr= 1--     -0.0179                -0.0347                 0.0007
 Gamma2 Fr= 1--      0.6746                -0.9533                -0.6616
 Delta2 Fr= 1--      1.0349                -0.5127                -0.8480
 Raman1 Fr= 1--      14.256                 10.246                 22.645
 ROA1   Fr= 1--      97.880               -107.923                -90.647
 CID1   Fr= 1--       6.866                -10.533                 -4.003
 Raman2 Fr= 1--       5.384                  3.669                  9.705
 ROA2   Fr= 1--       7.912                -18.778                 -9.093
 CID2   Fr= 1--       1.470                 -5.118                 -0.937
 Raman3 Fr= 1--      10.767                  7.339                 19.409
 ROA3   Fr= 1--      97.880               -107.923                -90.647
 CID3   Fr= 1--       9.090                -14.706                 -4.670
 RC180  Fr= 1--       0.511                  0.433                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.00    -0.03   0.11  -0.03     0.03  -0.01   0.04
     2   6    -0.01   0.01   0.06    -0.03  -0.06  -0.07     0.00   0.01  -0.02
     3   6     0.14  -0.04  -0.04     0.02  -0.07   0.00    -0.09  -0.12   0.01
     4   6    -0.11  -0.02  -0.05     0.03   0.04   0.01    -0.04   0.03  -0.07
     5   6     0.04   0.04   0.01    -0.05  -0.05   0.07     0.00   0.00   0.03
     6   6     0.04  -0.00  -0.10     0.07  -0.00  -0.05    -0.03  -0.05  -0.01
     7   1     0.09  -0.30   0.12     0.11  -0.34   0.22    -0.08   0.32  -0.08
     8   1    -0.03   0.23  -0.08     0.09  -0.29   0.21    -0.00   0.06  -0.01
     9   1    -0.04  -0.02  -0.17     0.13   0.23   0.44     0.02   0.04   0.04
    10   1    -0.04  -0.14  -0.23     0.05   0.04   0.22    -0.00   0.09   0.10
    11   6    -0.13   0.04   0.05    -0.05   0.03   0.01     0.04   0.04  -0.01
    12   1    -0.20   0.05   0.30     0.01   0.06   0.10     0.45   0.56   0.03
    13   1     0.48  -0.01   0.40    -0.02   0.04  -0.08     0.38   0.04   0.22
    14   1     0.07   0.00   0.09    -0.11  -0.06  -0.05     0.17   0.03   0.11
    15   1    -0.05  -0.02   0.13     0.14   0.26  -0.40     0.19   0.04  -0.07
    16   8    -0.00  -0.01   0.00    -0.01   0.00  -0.00    -0.02   0.00   0.00
    17   6    -0.02   0.00   0.02    -0.02   0.01   0.01     0.01   0.02   0.00
    18   6     0.03  -0.02  -0.01     0.01  -0.01  -0.01    -0.00  -0.00  -0.00
    19   6     0.04  -0.01  -0.01     0.02  -0.01   0.01    -0.01   0.00   0.01
    20   1    -0.02   0.00   0.04     0.00   0.03  -0.00    -0.03  -0.05   0.00
    21   1     0.04  -0.04   0.11     0.04  -0.05   0.06     0.01  -0.02  -0.06
    22   1     0.04  -0.04   0.09     0.08  -0.03   0.06    -0.03  -0.01   0.05
    23   1    -0.05  -0.01   0.00    -0.04  -0.01   0.00    -0.05  -0.01   0.02
    24   1     0.07   0.09   0.04     0.02   0.03   0.02    -0.02  -0.02   0.01
    25   1     0.02   0.10  -0.02     0.01   0.04  -0.01    -0.02  -0.01  -0.01
    26   1    -0.03   0.11   0.03    -0.02   0.04  -0.02     0.02  -0.07  -0.04
    27   1    -0.09  -0.06  -0.04    -0.05   0.01  -0.01     0.02  -0.01   0.02
    28   1    -0.05  -0.09   0.04    -0.01  -0.05  -0.01     0.01  -0.01  -0.04
    29   6     0.00  -0.00   0.00     0.04  -0.00  -0.00     0.03  -0.00  -0.00
    30   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    31   8     0.00   0.01  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    32   1     0.00  -0.00  -0.00    -0.01   0.03   0.02    -0.01   0.03   0.02
    33   1    -0.00   0.00  -0.00    -0.03   0.04  -0.00    -0.03   0.03  -0.00
    34   1     0.00  -0.00   0.00    -0.01   0.03  -0.02    -0.01   0.02  -0.02
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1342.0915              1363.1775              1397.1383
 Red. masses --      1.6697                 1.8310                 1.2701
 Frc consts  --      1.7719                 2.0047                 1.4607
 IR Inten    --      2.9502                 0.4529                48.8070
 RamAct Fr= 1--      4.2348                 1.5044                 1.7551
  Dep-P Fr= 1--      0.4244                 0.7270                 0.5516
  Dep-U Fr= 1--      0.5959                 0.8419                 0.7110
 Alpha2 Fr= 1--      0.0287                 0.0006                 0.0066
 Beta2  Fr= 1--      0.4206                 0.2111                 0.2080
 AlphaG Fr= 1--     -0.0109                 0.0122                -0.0307
 Gamma2 Fr= 1--      0.9988                 0.4596                 0.0840
 Delta2 Fr= 1--      0.6477                 0.5361                -0.0400
 Raman1 Fr= 1--      16.939                  6.018                  7.020
 ROA1   Fr= 1--     116.608                 61.276                  6.786
 CID1   Fr= 1--       6.884                 10.183                  0.967
 Raman2 Fr= 1--       5.047                  2.533                  2.496
 ROA2   Fr= 1--      18.789                  6.741                  2.336
 CID2   Fr= 1--       3.722                  2.661                  0.936
 Raman3 Fr= 1--      10.095                  5.066                  4.992
 ROA3   Fr= 1--     116.608                 61.276                  6.786
 CID3   Fr= 1--      11.551                 12.095                  1.359
 RC180  Fr= 1--       0.192                  0.684                  0.422
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.07  -0.08    -0.01   0.05  -0.01     0.00   0.00  -0.00
     2   6     0.02  -0.01   0.04    -0.02  -0.04  -0.11     0.00  -0.00  -0.01
     3   6    -0.02   0.03   0.12     0.03  -0.01  -0.01    -0.01  -0.01   0.00
     4   6    -0.06  -0.01  -0.07    -0.04  -0.03  -0.02    -0.01   0.01  -0.01
     5   6     0.00   0.00   0.01     0.05   0.07  -0.10     0.04  -0.01   0.02
     6   6    -0.04   0.05  -0.04    -0.01  -0.03   0.17    -0.01   0.00   0.01
     7   1     0.07  -0.33   0.21     0.06  -0.16   0.10    -0.00   0.00   0.01
     8   1     0.12  -0.39   0.20     0.02  -0.08   0.05     0.00  -0.02   0.01
     9   1    -0.03  -0.08  -0.14     0.06   0.08   0.29    -0.00  -0.02   0.01
    10   1    -0.04  -0.05  -0.11     0.11   0.18   0.47     0.01   0.02   0.04
    11   6     0.08  -0.05  -0.04    -0.02   0.02  -0.05     0.00   0.00  -0.00
    12   1     0.24  -0.30  -0.30    -0.06  -0.00   0.07     0.04   0.02  -0.01
    13   1     0.17   0.01   0.23     0.18  -0.03   0.17     0.03   0.01   0.01
    14   1     0.29   0.01   0.23     0.05   0.03   0.02     0.05  -0.00   0.06
    15   1     0.11  -0.07   0.07    -0.09  -0.36   0.52    -0.35   0.18  -0.11
    16   8    -0.00   0.01   0.00    -0.01  -0.00   0.01    -0.01  -0.02  -0.01
    17   6     0.02  -0.02   0.01    -0.00   0.01  -0.04     0.01   0.00  -0.00
    18   6    -0.03   0.01   0.02     0.02  -0.01   0.02    -0.01  -0.01   0.00
    19   6    -0.03   0.02   0.01     0.01  -0.01   0.02     0.00  -0.02  -0.00
    20   1     0.00  -0.00   0.08     0.01   0.00  -0.09    -0.00  -0.01   0.00
    21   1    -0.03   0.07   0.01    -0.02   0.01  -0.07    -0.01   0.01  -0.00
    22   1    -0.06   0.00  -0.02    -0.02   0.02  -0.06    -0.02  -0.00   0.00
    23   1     0.07   0.02  -0.02    -0.04   0.02  -0.06     0.05  -0.00  -0.01
    24   1     0.01  -0.04  -0.07     0.02  -0.01  -0.00     0.04   0.04  -0.02
    25   1     0.02  -0.08   0.03    -0.08   0.03  -0.01     0.05   0.02   0.02
    26   1     0.03  -0.07  -0.02    -0.02   0.03  -0.05    -0.05   0.07   0.01
    27   1     0.08   0.00   0.03    -0.06   0.05  -0.00    -0.01   0.08  -0.01
    28   1     0.03   0.02  -0.06     0.01  -0.03  -0.01     0.04   0.09   0.04
    29   6     0.01  -0.00  -0.00     0.00  -0.00  -0.00     0.04   0.01  -0.00
    30   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.11   0.09  -0.00
    31   8    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.01   0.00
    32   1    -0.01   0.00   0.00     0.01  -0.01  -0.00     0.40  -0.28  -0.20
    33   1    -0.01   0.01  -0.00     0.00  -0.01   0.01     0.19  -0.40   0.02
    34   1    -0.00   0.00  -0.00     0.01  -0.01   0.01     0.42  -0.25   0.22
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1406.4222              1413.0039              1419.5499
 Red. masses --      1.2651                 1.2839                 1.2851
 Frc consts  --      1.4744                 1.5103                 1.5257
 IR Inten    --     10.2186                 6.0446                19.5896
 RamAct Fr= 1--      0.5846                 0.2868                 3.3746
  Dep-P Fr= 1--      0.5309                 0.3672                 0.7168
  Dep-U Fr= 1--      0.6936                 0.5371                 0.8351
 Alpha2 Fr= 1--      0.0025                 0.0024                 0.0019
 Beta2  Fr= 1--      0.0676                 0.0257                 0.4697
 AlphaG Fr= 1--      0.0059                 0.0018                 0.0224
 Gamma2 Fr= 1--     -0.1708                 0.0139                -1.5491
 Delta2 Fr= 1--     -0.1443                 0.0330                -0.9652
 Raman1 Fr= 1--       2.338                  1.147                 13.499
 ROA1   Fr= 1--     -21.011                  2.386               -179.603
 CID1   Fr= 1--      -8.985                  2.079                -13.305
 Raman2 Fr= 1--       0.811                  0.308                  5.636
 ROA2   Fr= 1--      -2.945                  0.069                -29.457
 CID2   Fr= 1--      -3.631                  0.224                 -5.227
 Raman3 Fr= 1--       1.622                  0.616                 11.272
 ROA3   Fr= 1--     -21.011                  2.386               -179.603
 CID3   Fr= 1--     -12.955                  3.871                -15.933
 RC180  Fr= 1--       0.387                  0.074                  0.670
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.01   0.00     0.00  -0.00   0.01
     2   6     0.00   0.00  -0.01     0.00   0.00  -0.00    -0.00   0.00   0.01
     3   6    -0.01  -0.01   0.00    -0.00   0.00  -0.00     0.01  -0.00  -0.01
     4   6    -0.01   0.01  -0.00     0.00   0.00   0.00     0.03  -0.01   0.01
     5   6     0.03  -0.00   0.01     0.01  -0.00  -0.00    -0.09   0.01  -0.03
     6   6    -0.02  -0.01   0.01    -0.00  -0.00   0.04     0.02  -0.01  -0.02
     7   1     0.01   0.00  -0.01    -0.01   0.01  -0.01     0.01  -0.00  -0.03
     8   1    -0.02  -0.03  -0.01    -0.00   0.01  -0.01    -0.03   0.02  -0.03
     9   1    -0.02  -0.05   0.02    -0.00  -0.00  -0.01     0.00   0.02  -0.01
    10   1     0.03   0.00   0.04    -0.00   0.02   0.01    -0.02  -0.02  -0.06
    11   6     0.02   0.02  -0.00     0.00  -0.01  -0.01     0.01   0.01   0.00
    12   1     0.03   0.03  -0.00     0.00  -0.00  -0.01    -0.04  -0.00   0.03
    13   1     0.02   0.01   0.01    -0.00   0.00  -0.03    -0.06  -0.01   0.04
    14   1     0.03  -0.02   0.04     0.01   0.02   0.00    -0.12  -0.04  -0.10
    15   1    -0.21   0.10  -0.05    -0.11   0.04  -0.02     0.68  -0.31   0.18
    16   8     0.01  -0.01  -0.00     0.00  -0.01  -0.00    -0.02   0.03   0.02
    17   6     0.01   0.01  -0.01    -0.00   0.02  -0.14    -0.01   0.01  -0.00
    18   6    -0.09  -0.04   0.01    -0.01  -0.00   0.00    -0.07  -0.03   0.01
    19   6     0.01  -0.08  -0.03    -0.01   0.03   0.02    -0.00   0.01  -0.00
    20   1    -0.04  -0.04   0.03    -0.20   0.03   0.52    -0.02  -0.01   0.03
    21   1     0.03  -0.00   0.03     0.22  -0.00   0.48     0.04  -0.05   0.03
    22   1    -0.03  -0.01   0.02     0.03  -0.30   0.43     0.04  -0.01   0.02
    23   1     0.34  -0.01  -0.09     0.04  -0.00  -0.01     0.25  -0.01  -0.08
    24   1     0.27   0.23  -0.17     0.05   0.02  -0.05     0.20   0.16  -0.15
    25   1     0.35   0.14   0.11     0.06  -0.01   0.02     0.27   0.10   0.09
    26   1    -0.17   0.26   0.13     0.06  -0.10  -0.06     0.04  -0.04   0.05
    27   1    -0.03   0.36  -0.03     0.05  -0.17   0.02     0.02   0.02   0.00
    28   1     0.07   0.29   0.22     0.01  -0.11  -0.14    -0.06  -0.06   0.01
    29   6    -0.03   0.00   0.00    -0.01   0.00   0.00     0.06  -0.01  -0.00
    30   6     0.04  -0.03   0.00     0.00  -0.00   0.00    -0.05   0.03  -0.00
    31   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01   0.00   0.00
    32   1    -0.14   0.09   0.06    -0.01   0.00   0.00     0.14  -0.07  -0.06
    33   1    -0.06   0.13  -0.01    -0.00   0.01  -0.00     0.05  -0.12   0.01
    34   1    -0.14   0.08  -0.07    -0.01   0.00  -0.00     0.14  -0.06   0.06
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1430.7571              1471.5742              1478.0995
 Red. masses --      1.2070                 1.0519                 1.0460
 Frc consts  --      1.4557                 1.3421                 1.3464
 IR Inten    --      6.2919                12.2609                 9.0625
 RamAct Fr= 1--      1.5315                 5.5357                 4.8298
  Dep-P Fr= 1--      0.2309                 0.6187                 0.7500
  Dep-U Fr= 1--      0.3751                 0.7645                 0.8571
 Alpha2 Fr= 1--      0.0191                 0.0133                 0.0000
 Beta2  Fr= 1--      0.0958                 0.7053                 0.6899
 AlphaG Fr= 1--      0.0303                 0.0024                -0.0001
 Gamma2 Fr= 1--      0.2160                 0.0043                -0.0211
 Delta2 Fr= 1--     -0.1676                -0.1098                 0.1025
 Raman1 Fr= 1--       6.126                 22.143                 19.319
 ROA1   Fr= 1--      15.377                 -3.106                  1.253
 CID1   Fr= 1--       2.510                 -0.140                  0.065
 Raman2 Fr= 1--       1.149                  8.464                  8.279
 ROA2   Fr= 1--       6.525                  0.981                 -1.327
 CID2   Fr= 1--       5.679                  0.116                 -0.160
 Raman3 Fr= 1--       2.298                 16.928                 16.559
 ROA3   Fr= 1--      15.377                 -3.106                  1.253
 CID3   Fr= 1--       6.691                 -0.183                  0.076
 RC180  Fr= 1--      -0.250                  0.529                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.01    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
     3   6    -0.01   0.01   0.01     0.00   0.00   0.00    -0.00  -0.00   0.00
     4   6     0.01   0.00  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.03  -0.00  -0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00  -0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
     7   1    -0.01   0.01   0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   1     0.02  -0.01   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
     9   1     0.02   0.03  -0.06     0.00   0.00  -0.00    -0.00  -0.01   0.00
    10   1    -0.05   0.02  -0.04    -0.00   0.00  -0.00     0.01  -0.01  -0.00
    11   6     0.01   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    12   1     0.02  -0.02  -0.03    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    13   1    -0.06   0.01   0.06     0.00  -0.00  -0.00     0.01  -0.00  -0.01
    14   1    -0.02  -0.07   0.00     0.00   0.00   0.00     0.00   0.01  -0.00
    15   1     0.26  -0.12   0.06    -0.01   0.00   0.00     0.00   0.00  -0.00
    16   8    -0.01   0.01   0.01     0.00   0.00  -0.00    -0.00   0.00   0.00
    17   6     0.00   0.01  -0.04     0.00   0.00  -0.00     0.00  -0.00  -0.00
    18   6     0.07   0.02  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   6     0.01  -0.09  -0.04     0.00   0.00   0.00     0.00  -0.00   0.00
    20   1    -0.06  -0.01   0.15    -0.00  -0.01  -0.00     0.01   0.01  -0.00
    21   1     0.06   0.02   0.18     0.00   0.00   0.01    -0.01   0.01   0.00
    22   1    -0.03  -0.10   0.14    -0.01   0.00  -0.00    -0.01  -0.01   0.01
    23   1    -0.27   0.01   0.07    -0.00  -0.00   0.00     0.00  -0.00   0.01
    24   1    -0.22  -0.18   0.15    -0.00   0.00   0.00     0.00   0.00   0.00
    25   1    -0.28  -0.10  -0.09    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    26   1    -0.16   0.26   0.20    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    27   1    -0.05   0.45  -0.04    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    28   1     0.01   0.27   0.30     0.00   0.00  -0.00     0.00   0.00   0.00
    29   6     0.02  -0.00  -0.00    -0.02   0.01  -0.00     0.00  -0.00  -0.02
    30   6    -0.01   0.01  -0.00    -0.04  -0.03   0.00    -0.00  -0.00  -0.05
    31   8    -0.00  -0.00   0.00     0.00  -0.02   0.00    -0.00  -0.00   0.00
    32   1     0.03  -0.01  -0.01     0.22   0.49   0.32     0.49   0.10   0.04
    33   1     0.01  -0.03  -0.00     0.20  -0.41   0.01     0.03   0.04   0.72
    34   1     0.03  -0.01   0.01     0.22   0.44  -0.41    -0.46  -0.07   0.06
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1484.9441              1488.7361              1496.5086
 Red. masses --      1.0625                 1.0552                 1.0502
 Frc consts  --      1.3804                 1.3780                 1.3858
 IR Inten    --      0.1744                 2.6765                 3.5817
 RamAct Fr= 1--     11.1063                 1.8202                 5.9874
  Dep-P Fr= 1--      0.7492                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8566                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0002                 0.0000                 0.0000
 Beta2  Fr= 1--      1.5856                 0.2600                 0.8553
 AlphaG Fr= 1--      0.0024                -0.0000                 0.0001
 Gamma2 Fr= 1--      0.5020                -0.6693                 0.4664
 Delta2 Fr= 1--      0.4687                -0.1800                -0.0226
 Raman1 Fr= 1--      44.425                  7.281                 23.950
 ROA1   Fr= 1--      63.187                -70.016                 44.049
 CID1   Fr= 1--       1.422                 -9.616                  1.839
 Raman2 Fr= 1--      19.027                  3.120                 10.264
 ROA2   Fr= 1--       8.297                -14.624                 11.374
 CID2   Fr= 1--       0.436                 -4.687                  1.108
 Raman3 Fr= 1--      38.055                  6.241                 20.528
 ROA3   Fr= 1--      63.187                -70.016                 44.049
 CID3   Fr= 1--       1.660                -11.219                  2.146
 RC180  Fr= 1--       0.713                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.03    -0.00  -0.01  -0.01     0.00   0.00  -0.00
     2   6     0.00  -0.01   0.00    -0.01   0.03  -0.01     0.00  -0.00   0.00
     3   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6     0.02   0.02  -0.03     0.01   0.00  -0.01    -0.00  -0.00  -0.00
     5   6     0.01   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.01   0.00    -0.00  -0.01  -0.00    -0.03   0.01   0.00
     7   1     0.11  -0.08  -0.22    -0.05   0.04   0.10    -0.00  -0.00   0.02
     8   1    -0.20  -0.13  -0.13     0.08   0.07   0.05     0.01   0.00   0.00
     9   1     0.04   0.08  -0.04    -0.12  -0.22   0.12    -0.01  -0.03  -0.03
    10   1    -0.07   0.07  -0.00     0.20  -0.17   0.03     0.01   0.00   0.02
    11   6    -0.01  -0.00   0.00    -0.00  -0.01  -0.01     0.00  -0.00   0.00
    12   1     0.01   0.02   0.00     0.00   0.01   0.01     0.01  -0.00  -0.01
    13   1    -0.18   0.04   0.25    -0.04   0.01   0.05     0.00  -0.00   0.01
    14   1    -0.06  -0.29   0.10    -0.02  -0.07   0.02     0.00  -0.00   0.00
    15   1    -0.07   0.03  -0.01     0.07  -0.02   0.01     0.00  -0.01   0.02
    16   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    17   6    -0.00  -0.01  -0.00    -0.00  -0.02  -0.01    -0.04   0.02   0.01
    18   6     0.01  -0.02   0.02     0.00  -0.02  -0.03     0.01   0.00  -0.00
    19   6    -0.03   0.00  -0.02    -0.02  -0.01   0.01    -0.01  -0.01   0.01
    20   1     0.06   0.10   0.01     0.13   0.19  -0.01    -0.11   0.06   0.35
    21   1    -0.05   0.05  -0.05    -0.13   0.17  -0.04     0.19  -0.50  -0.30
    22   1     0.05  -0.03   0.04     0.03  -0.09   0.13     0.60   0.10  -0.17
    23   1     0.00   0.09  -0.35     0.31  -0.09   0.20    -0.03  -0.00   0.02
    24   1    -0.13  -0.14   0.06    -0.04   0.35   0.37    -0.01  -0.01   0.00
    25   1    -0.02   0.36  -0.02    -0.29   0.08  -0.10    -0.01  -0.03  -0.01
    26   1     0.03   0.00   0.33    -0.12   0.17  -0.01    -0.10   0.13  -0.04
    27   1     0.37   0.07   0.08     0.20  -0.09   0.06     0.08  -0.05   0.02
    28   1    -0.01  -0.15  -0.17     0.20   0.09  -0.21     0.14   0.10  -0.10
    29   6    -0.01   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    30   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    31   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    32   1     0.00   0.01   0.00    -0.01   0.00  -0.00     0.01   0.01   0.00
    33   1     0.00   0.00   0.01     0.00  -0.00  -0.01     0.00  -0.00   0.01
    34   1    -0.01   0.00  -0.00     0.01   0.00  -0.00    -0.00   0.00  -0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1500.4883              1503.0821              1508.2507
 Red. masses --      1.0660                 1.0626                 1.0553
 Frc consts  --      1.4141                 1.4144                 1.4144
 IR Inten    --     10.6953                 7.6098                 1.1503
 RamAct Fr= 1--      1.6066                 0.8742                 3.1601
  Dep-P Fr= 1--      0.7054                 0.5718                 0.7471
  Dep-U Fr= 1--      0.8273                 0.7276                 0.8553
 Alpha2 Fr= 1--      0.0012                 0.0029                 0.0002
 Beta2  Fr= 1--      0.2215                 0.1060                 0.4504
 AlphaG Fr= 1--     -0.0093                 0.0158                -0.0019
 Gamma2 Fr= 1--     -0.8626                 1.5201                 0.0485
 Delta2 Fr= 1--      0.0187                 0.5964                 0.2134
 Raman1 Fr= 1--       6.426                  3.497                 12.640
 ROA1   Fr= 1--     -82.213                165.016                 11.483
 CID1   Fr= 1--     -12.793                 47.191                  0.908
 Raman2 Fr= 1--       2.658                  1.272                  5.405
 ROA2   Fr= 1--     -20.853                 31.711                 -0.544
 CID2   Fr= 1--      -7.845                 24.928                 -0.101
 Raman3 Fr= 1--       5.316                  2.544                 10.811
 ROA3   Fr= 1--     -82.213                165.016                 11.483
 CID3   Fr= 1--     -15.464                 64.858                  1.062
 RC180  Fr= 1--       0.655                  0.455                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.01    -0.01  -0.02  -0.03     0.01   0.01   0.02
     2   6     0.00  -0.00   0.00    -0.01   0.03  -0.02     0.01  -0.01   0.01
     3   6    -0.00  -0.00   0.01    -0.00  -0.00  -0.01     0.00   0.00  -0.00
     4   6    -0.03  -0.03   0.04     0.01   0.01  -0.01     0.01   0.01  -0.02
     5   6    -0.01  -0.00   0.00     0.01   0.00   0.00     0.01   0.01  -0.00
     6   6    -0.01  -0.01  -0.01    -0.01  -0.00   0.00    -0.01  -0.03  -0.00
     7   1    -0.04   0.03   0.08    -0.13   0.11   0.26     0.08  -0.06  -0.17
     8   1     0.06   0.03   0.05     0.23   0.16   0.14    -0.14  -0.09  -0.10
     9   1     0.01   0.02  -0.02    -0.13  -0.25   0.13     0.05   0.10  -0.07
    10   1    -0.02   0.02  -0.01     0.24  -0.20   0.05    -0.09   0.10   0.00
    11   6     0.01  -0.00   0.00    -0.01   0.02  -0.01     0.00   0.01   0.01
    12   1     0.01  -0.02  -0.01    -0.01   0.02   0.01    -0.00   0.00  -0.00
    13   1     0.30  -0.06  -0.38    -0.11   0.02   0.15    -0.13   0.03   0.17
    14   1     0.10   0.44  -0.14    -0.04  -0.18   0.05    -0.04  -0.19   0.06
    15   1     0.04  -0.01  -0.01    -0.06   0.03  -0.01     0.02   0.00  -0.00
    16   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    17   6    -0.02  -0.03  -0.01    -0.01  -0.01  -0.00    -0.01  -0.03  -0.01
    18   6     0.00  -0.01   0.02    -0.00   0.02   0.01    -0.01   0.02  -0.00
    19   6    -0.00  -0.01  -0.01    -0.00   0.01  -0.03     0.02  -0.01   0.02
    20   1     0.20   0.34   0.07     0.08   0.15   0.05     0.26   0.41   0.04
    21   1    -0.17   0.16  -0.13    -0.06   0.03  -0.09    -0.23   0.23  -0.17
    22   1     0.20  -0.12   0.17     0.14  -0.04   0.05     0.20  -0.15   0.21
    23   1    -0.01   0.08  -0.28    -0.17   0.00   0.06    -0.11  -0.03   0.14
    24   1    -0.08  -0.14  -0.00     0.09  -0.10  -0.22     0.09  -0.03  -0.16
    25   1     0.03   0.24   0.00     0.14  -0.21   0.06     0.12  -0.23   0.05
    26   1     0.01   0.00   0.11     0.15  -0.16   0.31    -0.06   0.04  -0.28
    27   1     0.03   0.08   0.00     0.10   0.19   0.01    -0.23  -0.11  -0.05
    28   1    -0.04  -0.01   0.04    -0.21  -0.22   0.08     0.07   0.14   0.06
    29   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    30   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    31   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    32   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    33   1     0.00  -0.01  -0.01     0.00  -0.00   0.00     0.00  -0.00  -0.00
    34   1     0.01   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1513.4308              1523.1423              1528.4381
 Red. masses --      1.0710                 1.0621                 1.0850
 Frc consts  --      1.4454                 1.4518                 1.4934
 IR Inten    --      3.0945                 7.4278                 9.6850
 RamAct Fr= 1--      5.3298                 2.4385                 5.1740
  Dep-P Fr= 1--      0.6950                 0.7401                 0.5738
  Dep-U Fr= 1--      0.8201                 0.8506                 0.7292
 Alpha2 Fr= 1--      0.0051                 0.0004                 0.0172
 Beta2  Fr= 1--      0.7285                 0.3457                 0.6288
 AlphaG Fr= 1--     -0.0004                -0.0024                 0.0105
 Gamma2 Fr= 1--     -0.2364                -1.2196                 0.3204
 Delta2 Fr= 1--      0.0895                -0.8013                 0.1812
 Raman1 Fr= 1--      21.319                  9.754                 20.696
 ROA1   Fr= 1--     -19.825               -142.726                 36.560
 CID1   Fr= 1--      -0.930                -14.633                  1.767
 Raman2 Fr= 1--       8.742                  4.148                  7.546
 ROA2   Fr= 1--      -6.389                -22.860                  6.241
 CID2   Fr= 1--      -0.731                 -5.510                  0.827
 Raman3 Fr= 1--      17.483                  8.297                 15.091
 ROA3   Fr= 1--     -19.825               -142.726                 36.560
 CID3   Fr= 1--      -1.134                -17.202                  2.423
 RC180  Fr= 1--       0.640                  0.701                  0.458
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.02  -0.02     0.00  -0.00   0.00    -0.01  -0.04  -0.04
     2   6     0.00  -0.03   0.01     0.01  -0.04   0.01     0.01  -0.04   0.01
     3   6     0.01   0.00  -0.01     0.00   0.00   0.01    -0.00   0.00  -0.01
     4   6    -0.00  -0.01   0.01    -0.01  -0.00   0.00     0.02   0.01  -0.01
     5   6    -0.00  -0.00  -0.00     0.01   0.00  -0.00     0.01   0.00  -0.00
     6   6     0.01  -0.01   0.01    -0.00  -0.01   0.01    -0.00  -0.00   0.01
     7   1    -0.08   0.06   0.14     0.02  -0.02  -0.03    -0.21   0.16   0.40
     8   1     0.13   0.09   0.08    -0.02  -0.02  -0.01     0.35   0.25   0.21
     9   1     0.10   0.18  -0.08     0.16   0.30  -0.15     0.14   0.25  -0.14
    10   1    -0.16   0.14  -0.02    -0.28   0.25  -0.02    -0.24   0.21  -0.03
    11   6    -0.04   0.02   0.01    -0.00   0.01  -0.03     0.01  -0.01   0.01
    12   1    -0.03   0.00   0.02    -0.01  -0.01   0.01    -0.01  -0.01  -0.02
    13   1     0.03  -0.01  -0.07     0.05  -0.01  -0.06    -0.15   0.03   0.18
    14   1     0.01   0.06  -0.03     0.03   0.07  -0.01    -0.06  -0.21   0.06
    15   1     0.03  -0.03   0.02    -0.07   0.02  -0.01    -0.02   0.01   0.00
    16   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    17   6     0.01  -0.00   0.00    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    18   6     0.00   0.02   0.00    -0.01  -0.00  -0.03    -0.01  -0.02   0.01
    19   6    -0.03  -0.02   0.01    -0.00   0.01  -0.02     0.01   0.01   0.01
    20   1     0.02  -0.04  -0.11     0.03   0.08   0.04     0.02   0.03   0.01
    21   1    -0.04   0.09   0.05    -0.02  -0.02  -0.07    -0.01   0.01  -0.02
    22   1    -0.14   0.01  -0.00     0.11  -0.01   0.01     0.02  -0.01   0.01
    23   1    -0.18  -0.01   0.10     0.20  -0.11   0.36     0.13   0.04  -0.21
    24   1     0.11  -0.09  -0.24     0.10   0.32   0.15    -0.07  -0.00   0.10
    25   1     0.18  -0.24   0.06    -0.14  -0.20  -0.04    -0.03   0.27  -0.02
    26   1    -0.18   0.29   0.14     0.15  -0.16   0.31     0.01  -0.04  -0.17
    27   1     0.43  -0.11   0.11     0.11   0.21   0.01    -0.17  -0.07  -0.04
    28   1     0.28   0.06  -0.37    -0.21  -0.22   0.07    -0.01   0.05   0.07
    29   6     0.00   0.00   0.00    -0.01   0.00   0.00    -0.01   0.00  -0.00
    30   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    32   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    33   1    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.01
    34   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.00  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   1788.9246              3029.7172              3033.5596
 Red. masses --     11.1076                 1.0352                 1.0402
 Frc consts  --     20.9438                 5.5985                 5.6400
 IR Inten    --    241.8387                22.2010                11.2107
 RamAct Fr= 1--      9.8056                79.1138                 8.3114
  Dep-P Fr= 1--      0.1830                 0.0130                 0.7490
  Dep-U Fr= 1--      0.3094                 0.0257                 0.8565
 Alpha2 Fr= 1--      0.1392                 1.7053                 0.0001
 Beta2  Fr= 1--      0.5057                 0.3395                 1.1865
 AlphaG Fr= 1--     -0.0526                -0.1621                 0.0017
 Gamma2 Fr= 1--     -0.5758                -0.6643                 0.2523
 Delta2 Fr= 1--     -0.0188                -1.7509                 0.7449
 Raman1 Fr= 1--      39.222                316.455                 33.246
 ROA1   Fr= 1--     -55.880               -119.800                 48.055
 CID1   Fr= 1--      -1.425                 -0.379                  1.445
 Raman2 Fr= 1--       6.068                  4.074                 14.238
 ROA2   Fr= 1--     -13.668                 -1.936                  0.096
 CID2   Fr= 1--      -2.253                 -0.475                  0.007
 Raman3 Fr= 1--      12.136                  8.149                 28.475
 ROA3   Fr= 1--     -55.880               -119.800                 48.055
 CID3   Fr= 1--      -4.604                -14.702                  1.688
 RC180  Fr= 1--      -0.381                 -0.949                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     4   6     0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.02   0.03  -0.01    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.01  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     7   1     0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.02   0.01   0.00
     8   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.01   0.00   0.01
     9   1    -0.01  -0.02   0.01    -0.02   0.01   0.00    -0.01   0.00   0.00
    10   1     0.01  -0.02   0.00     0.03   0.03  -0.02     0.01   0.01  -0.01
    11   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    12   1     0.01   0.01   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   1     0.05   0.00   0.02     0.00   0.00  -0.00     0.00   0.01  -0.00
    14   1     0.01   0.03  -0.02    -0.00   0.00   0.00     0.01  -0.00  -0.01
    15   1     0.14   0.01   0.01    -0.00  -0.01  -0.01     0.00   0.01   0.01
    16   8     0.00  -0.05   0.01     0.00   0.00   0.00     0.00   0.00  -0.00
    17   6    -0.00   0.00  -0.00    -0.00   0.00  -0.05    -0.00  -0.00   0.00
    18   6     0.00  -0.00   0.00    -0.01   0.00   0.00     0.04  -0.00  -0.01
    19   6     0.00  -0.00   0.00    -0.00   0.01   0.00    -0.02   0.03   0.01
    20   1    -0.01  -0.00   0.01     0.44  -0.29   0.13    -0.02   0.01  -0.00
    21   1     0.00  -0.01  -0.00    -0.44  -0.28   0.15     0.03   0.02  -0.01
    22   1     0.01  -0.00   0.01     0.01   0.53   0.30    -0.00   0.00   0.00
    23   1    -0.00  -0.00   0.00     0.00   0.03   0.01     0.00  -0.23  -0.07
    24   1     0.01   0.01  -0.00     0.04  -0.03   0.03    -0.34   0.25  -0.27
    25   1    -0.00  -0.00   0.00     0.02  -0.00  -0.07    -0.11   0.03   0.45
    26   1    -0.00   0.00  -0.00    -0.04  -0.02   0.01    -0.20  -0.11   0.03
    27   1    -0.00   0.00   0.00     0.03   0.00  -0.11     0.10   0.01  -0.44
    28   1     0.00  -0.00  -0.00     0.07  -0.04   0.05     0.34  -0.22   0.23
    29   6     0.00   0.76  -0.08    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    30   6     0.03  -0.07   0.01     0.00  -0.00   0.00     0.00   0.00  -0.00
    31   8    -0.03  -0.48   0.05     0.00   0.00   0.00    -0.00   0.00  -0.00
    32   1     0.05  -0.17  -0.07     0.00   0.00  -0.00    -0.00  -0.00   0.00
    33   1    -0.12   0.25  -0.02    -0.00  -0.00   0.00     0.00  -0.00   0.00
    34   1     0.05  -0.15   0.09     0.00   0.00   0.00     0.00   0.00  -0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3040.1271              3054.5447              3055.9499
 Red. masses --      1.0402                 1.0366                 1.0609
 Frc consts  --      5.6643                 5.6983                 5.8374
 IR Inten    --     51.8768                 2.5299                29.8673
 RamAct Fr= 1--    347.6274               188.2153                79.9510
  Dep-P Fr= 1--      0.0336                 0.0075                 0.3271
  Dep-U Fr= 1--      0.0650                 0.0150                 0.4930
 Alpha2 Fr= 1--      7.1392                 4.1095                 0.7548
 Beta2  Fr= 1--      3.7664                 0.4699                 6.5693
 AlphaG Fr= 1--     -0.1030                 0.0481                -0.0296
 Gamma2 Fr= 1--      0.1606                 0.0561                -4.0855
 Delta2 Fr= 1--      2.4957                -0.1805                -3.4302
 Raman1 Fr= 1--    1390.509                752.861                319.804
 ROA1   Fr= 1--      95.278                 -0.392               -501.977
 CID1   Fr= 1--       0.069                 -0.001                 -1.570
 Raman2 Fr= 1--      45.196                  5.639                 78.831
 ROA2   Fr= 1--     -16.111                  2.791                -70.611
 CID2   Fr= 1--      -0.356                  0.495                 -0.896
 Raman3 Fr= 1--      90.393                 11.277                157.662
 ROA3   Fr= 1--      95.278                 -0.392               -501.977
 CID3   Fr= 1--       1.054                 -0.035                 -3.184
 RC180  Fr= 1--      -0.870                 -0.970                 -0.014
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.01  -0.03  -0.05
     2   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.02  -0.01
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.01   0.01
     4   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     7   1     0.03   0.01   0.01     0.00   0.00   0.00     0.58   0.26   0.14
     8   1    -0.02   0.00   0.02    -0.00   0.00   0.00    -0.46   0.14   0.48
     9   1    -0.02   0.01   0.00     0.00  -0.00  -0.00     0.11  -0.05  -0.01
    10   1     0.03   0.03  -0.02     0.00  -0.00  -0.00    -0.16  -0.15   0.09
    11   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    12   1     0.03  -0.02   0.03    -0.00   0.00  -0.00    -0.12   0.10  -0.15
    13   1    -0.00  -0.02   0.00     0.00   0.00  -0.00    -0.00  -0.01   0.00
    14   1    -0.01   0.01   0.01     0.00  -0.00  -0.00     0.03  -0.02  -0.04
    15   1    -0.00  -0.02  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    16   8     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    17   6    -0.00   0.00  -0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    18   6     0.04  -0.00  -0.01     0.00   0.00   0.00    -0.00   0.00   0.00
    19   6     0.02  -0.03  -0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1     0.09  -0.06   0.03     0.00  -0.00   0.00     0.00  -0.00   0.00
    21   1    -0.08  -0.05   0.03    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1     0.00   0.09   0.05     0.00   0.00   0.00     0.00   0.02   0.01
    23   1     0.00  -0.22  -0.06    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    24   1    -0.32   0.24  -0.26    -0.00   0.00  -0.00     0.02  -0.01   0.01
    25   1    -0.10   0.03   0.41    -0.00   0.00   0.00     0.00   0.00  -0.01
    26   1     0.21   0.12  -0.03     0.00   0.00  -0.00     0.00   0.00  -0.00
    27   1    -0.10  -0.01   0.44    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    28   1    -0.35   0.23  -0.24    -0.00   0.00  -0.00     0.00  -0.00   0.00
    29   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    30   6     0.00  -0.00   0.00    -0.02   0.04  -0.00     0.00  -0.00   0.00
    31   8     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    32   1     0.00   0.00  -0.00    -0.02  -0.32   0.54     0.00   0.00  -0.00
    33   1    -0.00  -0.00   0.00     0.35   0.22  -0.03    -0.00  -0.00   0.00
    34   1     0.00   0.00   0.00    -0.05  -0.42  -0.51     0.00   0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3067.5574              3069.4327              3080.4378
 Red. masses --      1.0702                 1.0676                 1.1012
 Frc consts  --      5.9336                 5.9263                 6.1567
 IR Inten    --     34.6101                11.7044                 1.3800
 RamAct Fr= 1--    108.5968                60.8261                 4.9505
  Dep-P Fr= 1--      0.0762                 0.3731                 0.5472
  Dep-U Fr= 1--      0.1416                 0.5435                 0.7073
 Alpha2 Fr= 1--      2.0147                 0.4947                 0.0192
 Beta2  Fr= 1--      2.5625                 5.5094                 0.5836
 AlphaG Fr= 1--      0.1101                -0.0060                 0.0705
 Gamma2 Fr= 1--      4.9894                 9.2867                -8.0985
 Delta2 Fr= 1--      4.2894                 3.5629                -5.0778
 Raman1 Fr= 1--     434.387                243.305                 19.802
 ROA1   Fr= 1--     616.246               1005.537               -939.940
 CID1   Fr= 1--       1.419                  4.133                -47.467
 Raman2 Fr= 1--      30.749                 66.113                  7.003
 ROA2   Fr= 1--      85.430                194.377               -153.741
 CID2   Fr= 1--       2.778                  2.940                -21.953
 Raman3 Fr= 1--      61.499                132.226                 14.006
 ROA3   Fr= 1--     616.246               1005.537               -939.940
 CID3   Fr= 1--      10.020                  7.605                -67.108
 RC180  Fr= 1--      -0.717                  0.087                  0.415
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.02    -0.01  -0.00   0.01     0.00   0.00  -0.00
     2   6    -0.03  -0.06   0.03    -0.00  -0.01   0.00    -0.00  -0.00   0.00
     3   6     0.01  -0.00   0.01     0.02  -0.02   0.03    -0.00   0.00  -0.00
     4   6    -0.01  -0.00   0.01     0.04   0.02  -0.04     0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   1     0.02   0.01   0.00     0.06   0.03   0.02    -0.03  -0.01  -0.01
     8   1    -0.19   0.06   0.21     0.09  -0.03  -0.09    -0.03   0.01   0.03
     9   1    -0.27   0.12   0.02    -0.06   0.03   0.00     0.01  -0.00  -0.00
    10   1     0.59   0.55  -0.35     0.06   0.05  -0.03     0.01   0.01  -0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    12   1    -0.07   0.05  -0.08    -0.25   0.21  -0.32     0.01  -0.01   0.02
    13   1     0.00   0.06  -0.00    -0.01  -0.48   0.03    -0.00  -0.03   0.00
    14   1     0.07  -0.05  -0.08    -0.43   0.29   0.49    -0.02   0.02   0.03
    15   1     0.00   0.02   0.02     0.00   0.01   0.01    -0.00  -0.00  -0.00
    16   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    17   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.01  -0.02  -0.00
    18   6    -0.00   0.01   0.00    -0.00   0.00  -0.00    -0.02   0.02  -0.06
    19   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.02  -0.02   0.06
    20   1    -0.03   0.02  -0.01     0.01  -0.01   0.00    -0.04   0.02  -0.01
    21   1    -0.02  -0.01   0.00    -0.00   0.00  -0.00     0.12   0.07  -0.04
    22   1     0.00  -0.06  -0.04    -0.00  -0.02  -0.01     0.00   0.14   0.08
    23   1    -0.00  -0.04  -0.01    -0.00  -0.02  -0.01    -0.00  -0.01  -0.02
    24   1     0.03  -0.02   0.03     0.00  -0.00   0.00     0.33  -0.24   0.25
    25   1     0.01  -0.00  -0.04    -0.00   0.00   0.01    -0.13   0.04   0.48
    26   1    -0.01  -0.01   0.00     0.02   0.02  -0.00    -0.00  -0.01   0.02
    27   1    -0.00   0.00   0.00    -0.01   0.00   0.01     0.12  -0.00  -0.47
    28   1     0.01  -0.01   0.01     0.03  -0.02   0.02    -0.35   0.23  -0.23
    29   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    30   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    31   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    32   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    33   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    34   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3081.7172              3086.5526              3088.2269
 Red. masses --      1.0833                 1.1003                 1.1005
 Frc consts  --      6.0618                 6.1762                 6.1836
 IR Inten    --     37.5755                61.2116                30.9320
 RamAct Fr= 1--    262.9086                31.5956               112.9933
  Dep-P Fr= 1--      0.0650                 0.7333                 0.3847
  Dep-U Fr= 1--      0.1221                 0.8461                 0.5556
 Alpha2 Fr= 1--      5.0103                 0.0090                 0.8833
 Beta2  Fr= 1--      5.3494                 4.4556                10.4632
 AlphaG Fr= 1--     -0.1327                 0.0020                -0.5459
 Gamma2 Fr= 1--      8.8209                18.1845               -24.0197
 Delta2 Fr= 1--      1.5750                 2.8468                -3.0980
 Raman1 Fr= 1--    1051.634                126.382                451.973
 ROA1   Fr= 1--     897.201               1836.805              -2405.029
 CID1   Fr= 1--       0.853                 14.534                 -5.321
 Raman2 Fr= 1--      64.192                 53.468                125.559
 ROA2   Fr= 1--     199.101                413.653               -551.689
 CID2   Fr= 1--       3.102                  7.736                 -4.394
 Raman3 Fr= 1--     128.385                106.936                251.117
 ROA3   Fr= 1--     897.201               1836.805              -2405.029
 CID3   Fr= 1--       6.988                 17.177                 -9.577
 RC180  Fr= 1--      -0.756                  0.692                  0.111
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01  -0.02     0.01   0.00  -0.00    -0.08  -0.01   0.02
     2   6    -0.01  -0.00   0.00    -0.00   0.00  -0.00     0.02  -0.02   0.00
     3   6    -0.04   0.03  -0.05    -0.00   0.00  -0.01    -0.01   0.01  -0.02
     4   6     0.02   0.00  -0.03     0.00   0.00  -0.00     0.00  -0.01  -0.00
     5   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     7   1    -0.01  -0.00  -0.01    -0.09  -0.04  -0.03     0.63   0.29   0.18
     8   1    -0.21   0.07   0.23    -0.07   0.03   0.08     0.33  -0.12  -0.37
     9   1     0.05  -0.03  -0.00     0.04  -0.02  -0.00    -0.27   0.13   0.01
    10   1     0.06   0.06  -0.03    -0.01  -0.01   0.01     0.06   0.05  -0.03
    11   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   1     0.44  -0.36   0.54     0.06  -0.05   0.07     0.15  -0.12   0.18
    13   1    -0.01  -0.20   0.01    -0.00  -0.02   0.00     0.00   0.10  -0.01
    14   1    -0.27   0.18   0.30    -0.02   0.02   0.03    -0.01   0.01   0.02
    15   1     0.00   0.02   0.01     0.00   0.01   0.01     0.01   0.03   0.02
    16   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    17   6     0.01  -0.00   0.00    -0.03   0.04   0.00    -0.01   0.01   0.00
    18   6     0.00  -0.00   0.01    -0.01   0.01  -0.05    -0.00   0.01  -0.01
    19   6    -0.00   0.00   0.01    -0.02   0.01  -0.04     0.00   0.00  -0.00
    20   1    -0.05   0.03  -0.02     0.37  -0.24   0.12     0.06  -0.04   0.02
    21   1    -0.03  -0.02   0.01     0.06   0.05  -0.02     0.00   0.00  -0.00
    22   1     0.00  -0.00  -0.00    -0.01  -0.27  -0.15    -0.00  -0.07  -0.04
    23   1     0.00   0.01   0.01    -0.00   0.01  -0.01    -0.00  -0.07  -0.02
    24   1    -0.04   0.03  -0.03     0.28  -0.20   0.21     0.07  -0.05   0.05
    25   1     0.03  -0.01  -0.12    -0.12   0.03   0.42    -0.01   0.01   0.03
    26   1    -0.01  -0.00   0.00     0.01   0.01  -0.01    -0.03  -0.02   0.00
    27   1     0.02  -0.00  -0.07    -0.09   0.00   0.36    -0.00   0.00   0.01
    28   1    -0.00   0.00  -0.00     0.28  -0.18   0.18     0.01  -0.01   0.00
    29   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    30   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    31   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    32   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    33   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    34   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3089.2548              3092.8392              3099.9202
 Red. masses --      1.1004                 1.1006                 1.0889
 Frc consts  --      6.1874                 6.2028                 6.1650
 IR Inten    --     20.0936                27.1032                 9.1174
 RamAct Fr= 1--    152.7430                78.5797                58.1618
  Dep-P Fr= 1--      0.6983                 0.6463                 0.3448
  Dep-U Fr= 1--      0.8223                 0.7851                 0.5128
 Alpha2 Fr= 1--      0.1379                 0.1467                 0.5193
 Beta2  Fr= 1--     20.9339                10.2826                 4.9706
 AlphaG Fr= 1--     -0.0729                 0.1230                 0.6306
 Gamma2 Fr= 1--    -24.9984                20.6606               -18.9512
 Delta2 Fr= 1--     -9.9415                10.1195               -12.4354
 Raman1 Fr= 1--     610.972                314.319                232.647
 ROA1   Fr= 1--   -2717.975               2307.241              -2217.248
 CID1   Fr= 1--      -4.449                  7.340                 -9.531
 Raman2 Fr= 1--     251.207                123.391                 59.647
 ROA2   Fr= 1--    -520.430                414.898               -355.345
 CID2   Fr= 1--      -2.072                  3.362                 -5.957
 Raman3 Fr= 1--     502.414                246.782                119.294
 ROA3   Fr= 1--   -2717.975               2307.241              -2217.248
 CID3   Fr= 1--      -5.410                  9.349                -18.586
 RC180  Fr= 1--       0.645                  0.570                  0.026
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01   0.03   0.01
     5   6     0.00   0.01   0.01     0.00   0.01   0.01    -0.02  -0.06  -0.05
     6   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   1     0.03   0.02   0.01     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     8   1     0.01  -0.01  -0.02    -0.01   0.00   0.01     0.01  -0.00  -0.01
     9   1    -0.02   0.01   0.00    -0.06   0.03   0.00    -0.00   0.00  -0.00
    10   1     0.02   0.02  -0.01     0.03   0.03  -0.02    -0.01  -0.01   0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    12   1     0.03  -0.02   0.03     0.01  -0.01   0.01     0.01  -0.01   0.02
    13   1     0.00   0.02  -0.00     0.00   0.03  -0.00    -0.01  -0.30   0.02
    14   1    -0.01   0.01   0.01    -0.02   0.01   0.02     0.12  -0.07  -0.13
    15   1    -0.02  -0.09  -0.07    -0.02  -0.10  -0.08     0.16   0.71   0.53
    16   8    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    17   6     0.03  -0.07  -0.01    -0.08  -0.04  -0.00    -0.01  -0.01  -0.00
    18   6    -0.01   0.01  -0.02     0.00  -0.01   0.02     0.00   0.00   0.00
    19   6    -0.02   0.01  -0.04    -0.00  -0.00  -0.00     0.01   0.00  -0.01
    20   1    -0.46   0.29  -0.15     0.30  -0.22   0.10    -0.01   0.00  -0.00
    21   1     0.06   0.02  -0.02     0.65   0.41  -0.23     0.09   0.05  -0.03
    22   1     0.02   0.50   0.29    -0.01   0.30   0.18     0.00   0.12   0.07
    23   1    -0.00  -0.02  -0.01     0.00   0.01   0.01     0.00  -0.00  -0.00
    24   1     0.14  -0.10   0.11    -0.09   0.07  -0.07    -0.00   0.00  -0.00
    25   1    -0.06   0.02   0.20     0.05  -0.01  -0.18     0.00  -0.00  -0.00
    26   1     0.04   0.03  -0.02     0.01   0.01  -0.00    -0.11  -0.07   0.02
    27   1    -0.09   0.00   0.34    -0.00  -0.00   0.01    -0.02   0.00   0.09
    28   1     0.25  -0.16   0.16     0.01  -0.00   0.00    -0.00   0.01  -0.01
    29   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    31   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    32   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    33   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.00   0.00
    34   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3112.1729              3113.4638              3118.5311
 Red. masses --      1.0997                 1.1009                 1.0989
 Frc consts  --      6.2755                 6.2879                 6.2965
 IR Inten    --      5.1083                16.7982                47.2973
 RamAct Fr= 1--     51.6978                68.2975                62.7670
  Dep-P Fr= 1--      0.7481                 0.3226                 0.5461
  Dep-U Fr= 1--      0.8559                 0.4878                 0.7064
 Alpha2 Fr= 1--      0.0016                 0.6539                 0.2452
 Beta2  Fr= 1--      7.3750                 5.5531                 7.3902
 AlphaG Fr= 1--      0.0062                 1.0936                 0.0056
 Gamma2 Fr= 1--      4.5287                 9.3819                 9.1840
 Delta2 Fr= 1--      3.5039                 3.4042                 4.6381
 Raman1 Fr= 1--     206.791                273.190                251.068
 ROA1   Fr= 1--     546.881               1009.598               1030.079
 CID1   Fr= 1--       2.645                  3.696                  4.103
 Raman2 Fr= 1--      88.499                 66.637                 88.683
 ROA2   Fr= 1--      80.658                197.933                183.311
 CID2   Fr= 1--       0.911                  2.970                  2.067
 Raman3 Fr= 1--     176.999                133.274                177.366
 ROA3   Fr= 1--     546.881               1009.598               1030.079
 CID3   Fr= 1--       3.090                  7.575                  5.808
 RC180  Fr= 1--       0.712                 -0.024                  0.413
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.02  -0.00   0.01
     2   6     0.00  -0.00  -0.00    -0.02   0.01   0.00    -0.08   0.01   0.01
     3   6    -0.00   0.00  -0.00     0.01  -0.00   0.01    -0.00   0.00  -0.00
     4   6    -0.00   0.00   0.00     0.02  -0.07  -0.02    -0.01   0.02   0.01
     5   6     0.00   0.00   0.00    -0.00  -0.02  -0.01     0.00   0.01   0.00
     6   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   1    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00     0.15   0.07   0.05
     8   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.14  -0.05  -0.15
     9   1    -0.01   0.00   0.00     0.22  -0.11  -0.01     0.76  -0.38  -0.03
    10   1    -0.00  -0.00   0.00     0.04   0.04  -0.03     0.20   0.21  -0.13
    11   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    12   1     0.00  -0.00   0.00    -0.06   0.05  -0.07     0.01  -0.01   0.02
    13   1    -0.00  -0.03   0.00     0.03   0.72  -0.06    -0.01  -0.17   0.01
    14   1     0.01  -0.00  -0.01    -0.27   0.16   0.31     0.08  -0.05  -0.09
    15   1    -0.00  -0.01  -0.01     0.05   0.22   0.16    -0.01  -0.06  -0.04
    16   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    17   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    18   6     0.00  -0.00  -0.00    -0.00   0.01   0.00    -0.00   0.01   0.01
    19   6    -0.00  -0.00   0.00     0.03   0.01  -0.01    -0.01  -0.00   0.00
    20   1     0.00  -0.00   0.00    -0.01   0.00  -0.00     0.02  -0.02   0.01
    21   1     0.00   0.00  -0.00     0.01   0.01  -0.00     0.03   0.02  -0.01
    22   1    -0.00  -0.00  -0.00     0.00   0.03   0.02    -0.00   0.01   0.00
    23   1     0.00   0.00   0.00    -0.00  -0.06  -0.02    -0.00  -0.16  -0.05
    24   1    -0.00   0.00  -0.00     0.01  -0.01   0.01     0.03  -0.02   0.02
    25   1    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.01   0.00  -0.05
    26   1     0.01   0.01  -0.00    -0.28  -0.17   0.04     0.06   0.04  -0.01
    27   1     0.00  -0.00  -0.00    -0.02   0.00   0.10     0.00  -0.00  -0.02
    28   1     0.00  -0.00   0.00    -0.05   0.04  -0.04     0.02  -0.01   0.01
    29   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    30   6    -0.00  -0.01  -0.09     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    31   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    32   1    -0.02  -0.39   0.60    -0.00  -0.01   0.02     0.00  -0.00   0.00
    33   1     0.03   0.02  -0.02    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    34   1     0.05   0.46   0.52     0.00   0.02   0.02     0.00   0.00   0.00
                     94                     95                     96
                      A                      A                      A
 Frequencies --   3129.5554              3131.1019              3159.5195
 Red. masses --      1.0947                 1.0953                 1.1027
 Frc consts  --      6.3170                 6.3269                 6.4854
 IR Inten    --     26.4264                23.3661                 8.1023
 RamAct Fr= 1--     59.2514                57.6257                78.2896
  Dep-P Fr= 1--      0.3648                 0.5995                 0.6083
  Dep-U Fr= 1--      0.5345                 0.7496                 0.7565
 Alpha2 Fr= 1--      0.4956                 0.1606                 0.2044
 Beta2  Fr= 1--      5.2788                 7.1998                 9.8704
 AlphaG Fr= 1--      0.4595                 0.0406                -0.0511
 Gamma2 Fr= 1--     -2.2593                 2.3934                -1.3503
 Delta2 Fr= 1--      0.8443                -1.0086                -0.6993
 Raman1 Fr= 1--     237.006                230.503                313.158
 ROA1   Fr= 1--    -189.872                197.490               -152.010
 CID1   Fr= 1--      -0.801                  0.857                 -0.485
 Raman2 Fr= 1--      63.345                 86.398                118.444
 ROA2   Fr= 1--     -60.977                 65.511                -26.813
 CID2   Fr= 1--      -0.963                  0.758                 -0.226
 Raman3 Fr= 1--     126.690                172.796                236.889
 ROA3   Fr= 1--    -189.872                197.490               -152.010
 CID3   Fr= 1--      -1.499                  1.143                 -0.642
 RC180  Fr= 1--       0.069                  0.499                  0.513
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.01  -0.00   0.00     0.00   0.00   0.00
     2   6    -0.00   0.00   0.00    -0.02  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00  -0.03  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.00  -0.02  -0.01     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   1     0.00   0.00   0.00     0.10   0.04   0.03    -0.00  -0.00  -0.00
     8   1     0.00   0.00  -0.00     0.03  -0.01  -0.04    -0.00   0.00   0.00
     9   1     0.01  -0.01  -0.00     0.11  -0.06  -0.00    -0.00   0.00   0.00
    10   1     0.00   0.01  -0.00     0.08   0.08  -0.05    -0.00  -0.00   0.00
    11   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    12   1    -0.01   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   1     0.01   0.27  -0.02     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    14   1    -0.07   0.04   0.08    -0.00   0.00   0.00    -0.00   0.00   0.00
    15   1     0.05   0.21   0.16    -0.00  -0.00  -0.00     0.00   0.01   0.00
    16   8     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    17   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    18   6     0.00  -0.00  -0.00     0.01  -0.08  -0.03     0.00  -0.00  -0.00
    19   6    -0.07  -0.03   0.02     0.00   0.00  -0.00    -0.00  -0.00   0.00
    20   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   1     0.01   0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    22   1    -0.00   0.00   0.00     0.00   0.01   0.01     0.00   0.00   0.00
    23   1     0.00   0.04   0.01     0.02   0.89   0.25     0.00   0.00   0.00
    24   1    -0.01   0.00  -0.00    -0.14   0.09  -0.12    -0.00   0.00  -0.00
    25   1    -0.00   0.00   0.00    -0.05  -0.00   0.22    -0.00   0.00   0.00
    26   1     0.74   0.44  -0.11    -0.04  -0.02   0.01     0.00   0.00  -0.00
    27   1     0.04  -0.00  -0.22    -0.00   0.00   0.01    -0.00  -0.00   0.00
    28   1     0.12  -0.10   0.10    -0.01   0.01  -0.01    -0.00   0.00  -0.00
    29   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.07  -0.06   0.01
    31   8    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    32   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.15  -0.26
    33   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.78   0.46  -0.06
    34   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.16   0.21

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  8 and mass  15.99491
 Atom    17 has atomic number  6 and mass  12.00000
 Atom    18 has atomic number  6 and mass  12.00000
 Atom    19 has atomic number  6 and mass  12.00000
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  6 and mass  12.00000
 Atom    31 has atomic number  8 and mass  15.99491
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Atom    34 has atomic number  1 and mass   1.00783
 Molecular mass:   196.14633 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1396.385173819.652813882.59467
           X            0.99982  -0.01825  -0.00573
           Y            0.01847   0.99900   0.04084
           Z            0.00498  -0.04094   0.99915
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06203     0.02268     0.02231
 Rotational constants (GHZ):           1.29244     0.47249     0.46483
 Zero-point vibrational energy     793809.7 (Joules/Mol)
                                  189.72508 (Kcal/Mol)
 Warning -- explicit consideration of  22 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     58.26    72.15   105.19   139.51   213.80
          (Kelvin)            281.91   315.99   321.43   338.48   343.69
                              349.87   387.40   478.08   503.26   524.92
                              581.48   622.29   684.77   741.47   758.85
                              839.84   854.83   893.19   925.82   954.29
                             1080.17  1151.59  1202.02  1222.65  1290.89
                             1327.73  1340.68  1370.33  1380.40  1386.64
                             1401.47  1436.72  1450.32  1473.14  1509.37
                             1522.05  1537.22  1541.24  1593.55  1638.71
                             1673.99  1687.81  1714.21  1763.08  1777.54
                             1805.62  1815.66  1828.34  1847.44  1882.05
                             1889.57  1923.20  1930.97  1961.31  2010.17
                             2023.53  2033.00  2042.42  2058.54  2117.27
                             2126.66  2136.50  2141.96  2153.14  2158.87
                             2162.60  2170.04  2177.49  2191.46  2199.08
                             2573.86  4359.09  4364.62  4374.06  4394.81
                             4396.83  4413.53  4416.23  4432.06  4433.90
                             4440.86  4443.27  4444.75  4449.91  4460.09
                             4477.72  4479.58  4486.87  4502.73  4504.96
                             4545.84
 
 Zero-point correction=                           0.302346 (Hartree/Particle)
 Thermal correction to Energy=                    0.316883
 Thermal correction to Enthalpy=                  0.317827
 Thermal correction to Gibbs Free Energy=         0.261350
 Sum of electronic and zero-point Energies=           -619.787303
 Sum of electronic and thermal Energies=              -619.772766
 Sum of electronic and thermal Enthalpies=            -619.771822
 Sum of electronic and thermal Free Energies=         -619.828299
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  198.847             56.782            118.866
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.726
 Rotational               0.889              2.981             31.405
 Vibrational            197.069             50.820             45.735
 Vibration     1          0.594              1.981              5.235
 Vibration     2          0.595              1.978              4.812
 Vibration     3          0.599              1.967              4.068
 Vibration     4          0.603              1.951              3.514
 Vibration     5          0.618              1.904              2.690
 Vibration     6          0.636              1.846              2.171
 Vibration     7          0.647              1.811              1.962
 Vibration     8          0.649              1.805              1.931
 Vibration     9          0.655              1.787              1.838
 Vibration    10          0.657              1.781              1.811
 Vibration    11          0.659              1.774              1.780
 Vibration    12          0.674              1.730              1.601
 Vibration    13          0.714              1.611              1.249
 Vibration    14          0.727              1.576              1.167
 Vibration    15          0.738              1.545              1.101
 Vibration    16          0.769              1.461              0.948
 Vibration    17          0.793              1.399              0.850
 Vibration    18          0.833              1.303              0.721
 Vibration    19          0.870              1.216              0.621
 Vibration    20          0.882              1.189              0.593
 Vibration    21          0.941              1.067              0.479
 Vibration    22          0.952              1.044              0.460
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.612970-120       -120.212561       -276.799651
 Total V=0       0.719272D+19         18.856893         43.419601
 Vib (Bot)       0.348493-134       -134.457806       -309.600540
 Vib (Bot)    1  0.510908D+01          0.708343          1.631019
 Vib (Bot)    2  0.412232D+01          0.615142          1.416416
 Vib (Bot)    3  0.281962D+01          0.450191          1.036603
 Vib (Bot)    4  0.211768D+01          0.325861          0.750322
 Vib (Bot)    5  0.136507D+01          0.135156          0.311208
 Vib (Bot)    6  0.101921D+01          0.008263          0.019025
 Vib (Bot)    7  0.900794D+00         -0.045375         -0.104479
 Vib (Bot)    8  0.884127D+00         -0.053485         -0.123155
 Vib (Bot)    9  0.835262D+00         -0.078177         -0.180010
 Vib (Bot)   10  0.821260D+00         -0.085519         -0.196915
 Vib (Bot)   11  0.805185D+00         -0.094104         -0.216683
 Vib (Bot)   12  0.718022D+00         -0.143862         -0.331255
 Vib (Bot)   13  0.561525D+00         -0.250631         -0.577099
 Vib (Bot)   14  0.527548D+00         -0.277738         -0.639515
 Vib (Bot)   15  0.500758D+00         -0.300372         -0.691632
 Vib (Bot)   16  0.439674D+00         -0.356869         -0.821722
 Vib (Bot)   17  0.402063D+00         -0.395706         -0.911146
 Vib (Bot)   18  0.352624D+00         -0.452688         -1.042352
 Vib (Bot)   19  0.314547D+00         -0.502314         -1.156621
 Vib (Bot)   20  0.303949D+00         -0.517200         -1.190897
 Vib (Bot)   21  0.260084D+00         -0.584887         -1.346752
 Vib (Bot)   22  0.252838D+00         -0.597157         -1.375005
 Vib (V=0)       0.408929D+05          4.611648         10.618711
 Vib (V=0)    1  0.563349D+01          0.750777          1.728729
 Vib (V=0)    2  0.465253D+01          0.667689          1.537411
 Vib (V=0)    3  0.336361D+01          0.526806          1.213016
 Vib (V=0)    4  0.267591D+01          0.427471          0.984289
 Vib (V=0)    5  0.195376D+01          0.290872          0.669757
 Vib (V=0)    6  0.163525D+01          0.213583          0.491793
 Vib (V=0)    7  0.153026D+01          0.184764          0.425436
 Vib (V=0)    8  0.151572D+01          0.180618          0.415888
 Vib (V=0)    9  0.147348D+01          0.168344          0.387627
 Vib (V=0)   10  0.146149D+01          0.164797          0.379458
 Vib (V=0)   11  0.144780D+01          0.160708          0.370044
 Vib (V=0)   12  0.137496D+01          0.138290          0.318425
 Vib (V=0)   13  0.125187D+01          0.097560          0.224639
 Vib (V=0)   14  0.122685D+01          0.088791          0.204448
 Vib (V=0)   15  0.120764D+01          0.081939          0.188670
 Vib (V=0)   16  0.116582D+01          0.066631          0.153423
 Vib (V=0)   17  0.114160D+01          0.057515          0.132434
 Vib (V=0)   18  0.111184D+01          0.046041          0.106013
 Vib (V=0)   19  0.109071D+01          0.037710          0.086830
 Vib (V=0)   20  0.108514D+01          0.035484          0.081706
 Vib (V=0)   21  0.106360D+01          0.026778          0.061658
 Vib (V=0)   22  0.106029D+01          0.025426          0.058544
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.107975D+09          8.033324         18.497412
 Rotational      0.162900D+07          6.211921         14.303477
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000003658   -0.000030212    0.000030968
      2        6           0.000045933    0.000052805   -0.000016391
      3        6           0.000039962   -0.000010728   -0.000036515
      4        6          -0.000024666    0.000004330    0.000019804
      5        6          -0.000002967    0.000008917   -0.000008026
      6        6          -0.000024684   -0.000003066    0.000018762
      7        1          -0.000009513   -0.000000794    0.000007121
      8        1          -0.000002990    0.000005735   -0.000000916
      9        1          -0.000003299   -0.000001636   -0.000000715
     10        1           0.000017438   -0.000005908    0.000009608
     11        6          -0.000003130    0.000007243   -0.000000823
     12        1           0.000001796    0.000000935    0.000000154
     13        1          -0.000010275   -0.000000686    0.000003118
     14        1           0.000008383    0.000012014   -0.000004338
     15        1           0.000010641   -0.000008644    0.000006920
     16        8           0.000003050    0.000005576    0.000000306
     17        6          -0.000000850   -0.000004895    0.000004071
     18        6          -0.000002085   -0.000000929   -0.000003366
     19        6          -0.000012641    0.000004187    0.000003525
     20        1          -0.000002560   -0.000003375   -0.000003891
     21        1          -0.000005237    0.000004698   -0.000005056
     22        1           0.000002549    0.000002740    0.000018171
     23        1          -0.000030007   -0.000006092   -0.000015144
     24        1          -0.000004024   -0.000000771    0.000001911
     25        1           0.000000631   -0.000003244    0.000012150
     26        1          -0.000009647   -0.000000111   -0.000014774
     27        1           0.000015622   -0.000017526   -0.000017407
     28        1           0.000000706   -0.000000670   -0.000000158
     29        6           0.000000814   -0.000000621    0.000002331
     30        6          -0.000000489   -0.000001502   -0.000001684
     31        8           0.000000398   -0.000001563   -0.000003978
     32        1          -0.000000299   -0.000000843   -0.000001680
     33        1          -0.000000161   -0.000002112   -0.000002781
     34        1          -0.000002058   -0.000003252   -0.000001275
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000052805 RMS     0.000012848
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.167588D+03 -0.246442D+01 -0.728876D+00
      2  -0.246442D+01  0.140167D+03 -0.428191D+00
      3  -0.728876D+00 -0.428191D+00  0.134287D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.254952D+00  0.669064D+00  0.811422D+01
      2  -0.117331D+00 -0.462248D+01 -0.500120D+02
      3  -0.324649D+01  0.229065D+02  0.365767D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.343409D+01  0.219608D+01 -0.754995D+00
      2   0.696150D+01  0.647083D+01 -0.115225D+02
      3  -0.352741D+01 -0.866691D+01  0.122775D+02
      4  -0.128658D+02 -0.516973D+02 -0.134509D+02
      5   0.687618D+01 -0.124043D+02 -0.104534D+03
      6  -0.527942D+01  0.141884D+01 -0.335999D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   102 ND12= 1 LenFil=    3675:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.287797D+01  0.315735D+01  0.356211D+01  0.235959D+01  0.800066D+00
      2   0.315735D+01  0.883304D+00  0.187594D+00  0.800066D+00 -0.320681D+01
      3   0.356211D+01  0.187594D+00 -0.373346D+01  0.691013D+00  0.901724D-01
                 6             7             8             9            10 
      1   0.691013D+00  0.186851D+01  0.522808D+00 -0.314704D+01 -0.265864D+01
      2   0.901724D-01  0.522808D+00 -0.290627D-01  0.293700D+01  0.427995D+01
      3   0.252725D+01 -0.314704D+01  0.293700D+01  0.571303D+00 -0.134705D+01
                11            12            13            14            15 
      1   0.427995D+01 -0.134705D+01  0.344290D+01  0.366944D-01 -0.147738D+01
      2  -0.942523D-01 -0.144853D+01  0.366944D-01  0.376287D+00 -0.329574D+01
      3  -0.144853D+01  0.210462D+01 -0.147738D+01 -0.329574D+01 -0.316124D+01
                16            17            18            19            20 
      1  -0.749910D+00 -0.172050D+01  0.139853D+01 -0.104620D+01 -0.372799D+01
      2  -0.172050D+01 -0.284822D+01 -0.148482D+01 -0.372799D+01  0.471604D+00
      3   0.139853D+01 -0.148482D+01  0.202613D+01  0.515125D+00 -0.127926D+01
                21            22            23            24            25 
      1   0.515125D+00 -0.417094D+01  0.495178D+00 -0.162488D+01 -0.676947D+00
      2  -0.127926D+01  0.495178D+00  0.373533D+01  0.239660D+01 -0.121267D+01
      3   0.491355D+01 -0.162488D+01  0.239660D+01 -0.238160D+01  0.625741D+01
                26            27            28            29            30 
      1  -0.121267D+01  0.625741D+01  0.756694D+00  0.185140D+01  0.161943D+01
      2   0.734496D+00 -0.367428D+01  0.185140D+01 -0.225065D+00  0.112106D+00
      3  -0.367428D+01 -0.135819D+01  0.161943D+01  0.112106D+00 -0.350335D+01
                31            32            33            34            35 
      1   0.288086D+01 -0.993177D+00 -0.246665D+00 -0.222695D+00  0.411926D+00
      2  -0.993177D+00 -0.513135D+01  0.124941D+01  0.411926D+00  0.406933D+00
      3  -0.246665D+00  0.124941D+01  0.241365D+01 -0.392410D+01  0.183179D+01
                36            37            38            39            40 
      1  -0.392410D+01 -0.573416D+01  0.153045D+01 -0.144228D+01  0.236815D+01
      2   0.183179D+01  0.153045D+01  0.935771D+00 -0.125299D+01 -0.271612D+00
      3  -0.400102D+00 -0.144228D+01 -0.125299D+01  0.346135D+01 -0.114423D+01
                41            42            43            44            45 
      1  -0.271612D+00 -0.114423D+01  0.806975D+00 -0.788280D+00  0.132085D+01
      2  -0.895398D+00 -0.243459D+01 -0.788280D+00 -0.162398D+01 -0.177591D+01
      3  -0.243459D+01 -0.283355D+01  0.132085D+01 -0.177591D+01  0.165143D+01
                46            47            48            49            50 
      1   0.260804D+01 -0.486619D+01  0.325361D+01 -0.675763D+01  0.112121D+01
      2  -0.486619D+01  0.141192D+01  0.541713D+00  0.112121D+01  0.403982D+00
      3   0.325361D+01  0.541713D+00  0.777329D+00  0.464572D+00  0.396245D+01
                51            52            53            54            55 
      1   0.464572D+00  0.391874D+01 -0.260256D+00  0.117173D-01 -0.578097D+01
      2   0.396245D+01 -0.260256D+00  0.469678D+01  0.188729D+01 -0.278396D+01
      3   0.144794D+01  0.117173D-01  0.188729D+01 -0.414717D+01 -0.280047D+01
                56            57            58            59            60 
      1  -0.278396D+01 -0.280047D+01 -0.220676D+01 -0.200721D+01 -0.118487D+01
      2  -0.258170D+01 -0.163602D+01 -0.200721D+01 -0.202868D+01 -0.129546D+01
      3  -0.163602D+01 -0.240771D+01 -0.118487D+01 -0.129546D+01 -0.148176D+01
                61            62            63            64            65 
      1  -0.164623D+01 -0.100944D+01 -0.150005D+01  0.195666D+01 -0.125781D+01
      2  -0.100944D+01 -0.917805D+00 -0.134170D+01 -0.125781D+01  0.143794D+01
      3  -0.150005D+01 -0.134170D+01 -0.197879D+01 -0.252630D+01  0.141630D+01
                66            67            68            69            70 
      1  -0.252630D+01 -0.647527D+00  0.649354D+00  0.376772D+00 -0.176760D+01
      2   0.141630D+01  0.649354D+00 -0.105900D+01 -0.143748D+01  0.645016D+00
      3   0.394526D+01  0.376772D+00 -0.143748D+01 -0.164487D+01  0.222078D+01
                71            72            73            74            75 
      1   0.645016D+00  0.222078D+01  0.551951D+01 -0.296232D+01  0.290757D+00
      2  -0.171953D+01 -0.241732D+01 -0.296232D+01  0.354117D+01  0.273339D+00
      3  -0.241732D+01 -0.639848D+01  0.290757D+00  0.273339D+00  0.838654D+00
                76            77            78            79            80 
      1  -0.213707D+01  0.219781D+01  0.216491D+00  0.122501D+00  0.211218D+00
      2   0.219781D+01 -0.326908D+01  0.244876D+00  0.211218D+00  0.253257D+00
      3   0.216491D+00  0.244876D+00 -0.317960D+00  0.615938D+00 -0.584742D+00
                81            82            83            84            85 
      1   0.615938D+00 -0.249165D+01 -0.238827D+01  0.918335D+00 -0.207839D+01
      2  -0.584742D+00 -0.238827D+01 -0.311305D+01  0.997648D+00 -0.219194D+01
      3  -0.139497D+00  0.918335D+00  0.997648D+00 -0.142081D+01  0.664423D+00
                86            87            88            89            90 
      1  -0.219194D+01  0.664423D+00  0.100724D+01  0.109468D+01 -0.103566D+01
      2  -0.520055D+01  0.170372D+01  0.109468D+01  0.237721D+01 -0.129642D+01
      3   0.170372D+01 -0.106119D+01 -0.103566D+01 -0.129642D+01  0.124891D+01
                91            92            93            94            95 
      1  -0.151457D+01  0.601991D+01 -0.237950D+01  0.731377D+01 -0.558365D+00
      2   0.601991D+01 -0.173128D+01  0.102584D+01 -0.558365D+00 -0.388449D+01
      3  -0.237950D+01  0.102584D+01 -0.510180D+01  0.122399D+01 -0.379695D+01
                96            97            98            99           100 
      1   0.122399D+01 -0.166541D+01  0.753639D+00 -0.430981D+01 -0.335350D+01
      2  -0.379695D+01  0.753639D+00 -0.313890D+01  0.106908D+01  0.187138D+01
      3   0.167260D+01 -0.430981D+01  0.106908D+01  0.484762D+01 -0.288218D+01
               101           102           103           104           105 
      1   0.187138D+01 -0.288218D+01  0.205421D+01 -0.146279D+01  0.140305D+01
      2  -0.140875D+01  0.138429D+01 -0.146279D+01  0.194750D+01 -0.236130D+01
      3   0.138429D+01 -0.349349D+01  0.140305D+01 -0.236130D+01  0.263682D+01
               106           107           108           109           110 
      1  -0.211338D+01  0.926923D+00 -0.313315D+01  0.363582D+00  0.906774D+00
      2   0.926923D+00 -0.175317D+01  0.230611D+01  0.906774D+00  0.427586D+00
      3  -0.313315D+01  0.230611D+01 -0.575574D+01 -0.270510D+00 -0.156591D+00
               111           112           113           114           115 
      1  -0.270510D+00  0.149448D+01  0.930565D+00 -0.253138D+00  0.235719D-01
      2  -0.156591D+00  0.930565D+00  0.800286D+01 -0.214639D+01 -0.171822D+00
      3   0.285997D+00 -0.253138D+00 -0.214639D+01  0.173027D+01  0.421374D+00
               116           117           118           119           120 
      1  -0.171822D+00  0.421374D+00  0.347006D+01 -0.490524D+00 -0.234478D+01
      2  -0.110272D+01  0.112366D+01 -0.490524D+00  0.534145D+00  0.121188D+00
      3   0.112366D+01 -0.835274D+00 -0.234478D+01  0.121188D+00  0.290222D+01
               121           122           123           124           125 
      1  -0.179304D+01  0.577187D+00  0.883281D+00 -0.287756D+01  0.504473D-01
      2   0.577187D+00 -0.514481D-01 -0.983901D+00  0.504473D-01 -0.920015D+00
      3   0.883281D+00 -0.983901D+00 -0.172926D+01  0.270244D+01 -0.430585D+00
               126           127           128           129           130 
      1   0.270244D+01  0.212746D+01  0.825187D+00  0.102153D+01  0.252427D+01
      2  -0.430585D+00  0.825187D+00  0.195067D+00  0.339536D+00  0.855300D-01
      3  -0.471658D+01  0.102153D+01  0.339536D+00  0.275464D+00  0.441956D+00
               131           132           133           134           135 
      1   0.855300D-01  0.441956D+00  0.142096D+01  0.436541D+00  0.192789D+00
      2   0.316019D+01  0.178193D+01  0.436541D+00  0.185668D+01  0.167354D+01
      3   0.178193D+01  0.219494D+01  0.192789D+00  0.167354D+01  0.240767D+01
               136           137           138           139           140 
      1  -0.549638D+00 -0.234186D+01  0.582669D+00 -0.571527D+01  0.268903D+00
      2  -0.234186D+01 -0.135968D+01 -0.163895D+00  0.268903D+00 -0.181415D+01
      3   0.582669D+00 -0.163895D+00 -0.190974D+01  0.619300D-01  0.600068D+00
               141           142           143           144           145 
      1   0.619300D-01  0.565862D+00 -0.184064D+00 -0.526161D+00 -0.227781D+00
      2   0.600068D+00 -0.184064D+00  0.141821D+00 -0.644992D+00  0.466904D+01
      3  -0.278780D+00 -0.526161D+00 -0.644992D+00  0.396142D+00 -0.357753D+01
               146           147           148           149           150 
      1   0.466904D+01 -0.357753D+01  0.474654D+01 -0.307322D+00 -0.248887D+00
      2  -0.297336D+00 -0.182615D+00 -0.307322D+00 -0.125534D+01 -0.437927D+01
      3  -0.182615D+00 -0.275033D+00 -0.248887D+00 -0.437927D+01 -0.180190D+01
               151           152           153           154           155 
      1  -0.298535D+01  0.280633D-02  0.242510D-01  0.200490D-01 -0.406917D+01
      2   0.280633D-02 -0.334901D+01 -0.172922D+01 -0.406917D+01  0.441823D+00
      3   0.242510D-01 -0.172922D+01  0.282233D+01  0.211402D+01 -0.721565D+00
               156           157           158           159           160 
      1   0.211402D+01 -0.499456D+01  0.118063D+01 -0.871217D+00  0.242479D+01
      2  -0.721565D+00  0.118063D+01  0.441018D+01  0.230385D+01 -0.851170D+00
      3   0.300636D+01 -0.871217D+00  0.230385D+01 -0.820000D+00  0.433386D+01
               161           162           163           164           165 
      1  -0.851170D+00  0.433386D+01 -0.187711D+00 -0.534950D+01  0.158948D+01
      2   0.239220D+01 -0.638943D+00 -0.534950D+01  0.417743D+00 -0.991680D+00
      3  -0.638943D+00 -0.468477D+01  0.158948D+01 -0.991680D+00  0.244099D+01
               166           167           168           169           170 
      1  -0.482343D+01 -0.770721D-01 -0.111987D+01  0.195728D+01 -0.115725D+01
      2  -0.770721D-01  0.236125D+01  0.288694D+01 -0.115725D+01  0.310063D+01
      3  -0.111987D+01  0.288694D+01 -0.345605D+00  0.303861D+01 -0.146131D+01
               171           172           173           174           175 
      1   0.303861D+01  0.459660D+01 -0.240663D+01  0.251250D+01 -0.249871D+01
      2  -0.146131D+01 -0.240663D+01  0.202401D+01 -0.148810D+01  0.173556D+01
      3  -0.544972D+01  0.251250D+01 -0.148810D+01  0.307691D+01 -0.119432D+01
               176           177           178           179           180 
      1   0.173556D+01 -0.119432D+01  0.129015D+01 -0.723642D+00  0.164504D+01
      2  -0.229265D+01  0.205769D+01 -0.723642D+00  0.104967D+01 -0.100980D+01
      3   0.205769D+01 -0.184045D+01  0.164504D+01 -0.100980D+01  0.176150D+01
               181           182           183           184           185 
      1  -0.419358D+01 -0.227541D+01  0.237693D+01 -0.235947D+01 -0.161007D+01
      2  -0.227541D+01 -0.188663D+01  0.142275D+01 -0.161007D+01 -0.218185D+01
      3   0.237693D+01  0.142275D+01 -0.304375D+01  0.114469D+01  0.195161D+01
               186           187           188           189           190 
      1   0.114469D+01  0.153920D+01  0.770805D+00 -0.166562D+01  0.172274D+00
      2   0.195161D+01  0.770805D+00  0.106869D+01 -0.974710D+00  0.218518D+00
      3  -0.192593D+01 -0.166562D+01 -0.974710D+00  0.195333D+01  0.105739D+01
               191           192           193           194           195 
      1   0.218518D+00  0.105739D+01  0.691941D+00  0.757418D-01  0.227757D+00
      2   0.121927D+00  0.144098D+00  0.757418D-01  0.392564D+01  0.278911D+01
      3   0.144098D+00  0.250379D+00  0.227757D+00  0.278911D+01  0.455463D+01
               196           197           198           199           200 
      1   0.779916D+00  0.543555D-01  0.716905D-01 -0.378740D+00 -0.959315D+00
      2   0.543555D-01  0.198953D+01  0.226072D+01 -0.959315D+00 -0.882766D+00
      3   0.716905D-01  0.226072D+01  0.400414D+01 -0.571319D+00 -0.143415D-01
               201           202           203           204           205 
      1  -0.571319D+00 -0.235364D+01 -0.175328D+01  0.643722D-01 -0.107593D+01
      2  -0.143415D-01 -0.175328D+01 -0.611870D+01 -0.111075D+01 -0.141712D+00
      3  -0.297399D+00  0.643722D-01 -0.111075D+01 -0.106163D+01 -0.565555D+00
               206           207           208           209           210 
      1  -0.141712D+00 -0.565555D+00 -0.735580D+01  0.196501D+01 -0.209660D+01
      2  -0.120952D+01 -0.864793D+00  0.196501D+01 -0.116708D+01  0.532244D+00
      3  -0.864793D+00 -0.225686D+00 -0.209660D+01  0.532244D+00 -0.151731D+01
               211           212           213           214           215 
      1   0.418490D+01 -0.190225D+01  0.946893D+00 -0.414804D+01  0.956942D+00
      2  -0.190225D+01  0.125431D+01 -0.898032D+00  0.956942D+00 -0.111414D+01
      3   0.946893D+00 -0.898032D+00  0.995937D+00 -0.246563D+01  0.726046D+00
               216           217           218           219           220 
      1  -0.246563D+01 -0.235740D+01  0.224494D+00  0.172769D+01  0.773191D+00
      2   0.726046D+00  0.224494D+00 -0.337101D+00  0.128050D+00 -0.711492D+00
      3  -0.133545D+01  0.172769D+01  0.128050D+00 -0.190150D+01 -0.700962D-01
               221           222           223           224           225 
      1  -0.711492D+00 -0.700962D-01  0.378439D+01  0.250452D+00 -0.366526D+01
      2  -0.279240D+00  0.662815D+00  0.250452D+00  0.837781D+00 -0.572866D-01
      3   0.662815D+00  0.290762D+00 -0.366526D+01 -0.572866D-01  0.660789D+01
               226           227           228           229           230 
      1   0.423932D+01  0.190976D+01 -0.499206D+00  0.203818D+01  0.184127D+01
      2   0.190976D+01  0.310188D+01  0.387868D+00  0.184127D+01  0.341594D+01
      3  -0.499206D+00  0.387868D+00  0.684532D+00  0.921526D-01 -0.154590D+00
               231           232           233           234           235 
      1   0.921526D-01 -0.601370D+00  0.163274D+00  0.357965D+00 -0.116236D+01
      2  -0.154590D+00  0.163274D+00 -0.630825D+00  0.614935D+00  0.101216D+01
      3   0.556451D+00  0.357965D+00  0.614935D+00  0.327154D+00  0.121030D+01
               236           237           238           239           240 
      1   0.101216D+01  0.121030D+01  0.361930D+00 -0.309945D+00 -0.435714D-01
      2  -0.636606D+00 -0.418342D+00 -0.309945D+00  0.392524D+00  0.844978D+00
      3  -0.418342D+00 -0.158931D+01 -0.435714D-01  0.844978D+00  0.526830D+00
               241           242           243           244           245 
      1   0.163662D+01 -0.874695D+00 -0.225207D+01 -0.493245D+01  0.380338D+01
      2  -0.874695D+00  0.216607D+01  0.230457D+01  0.380338D+01 -0.370812D+01
      3  -0.225207D+01  0.230457D+01  0.752257D+01 -0.119279D+01  0.776140D+00
               246           247           248           249           250 
      1  -0.119279D+01  0.269018D+01 -0.264190D+01  0.700723D+00 -0.232688D+01
      2   0.776140D+00 -0.264190D+01  0.383563D+01 -0.117390D+01  0.173651D+01
      3  -0.130495D+01  0.700723D+00 -0.117390D+01  0.673745D+00 -0.151881D+01
               251           252           253           254           255 
      1   0.173651D+01 -0.151881D+01  0.477449D+01  0.259823D+01 -0.445279D+00
      2  -0.266991D+01  0.134675D+01  0.259823D+01  0.713369D+00 -0.962578D-01
      3   0.134675D+01 -0.806704D+00 -0.445279D+00 -0.962578D-01  0.852276D+00
               256           257           258           259           260 
      1  -0.103657D+01 -0.221280D+01 -0.182990D+00 -0.212695D+00  0.206405D+00
      2  -0.221280D+01 -0.526436D+01  0.321834D+00  0.206405D+00  0.521927D+00
      3  -0.182990D+00  0.321834D+00 -0.537679D+00  0.100451D+01 -0.807761D+00
               261           262           263           264           265 
      1   0.100451D+01 -0.199776D+01 -0.460379D+01  0.379625D+00 -0.614584D+01
      2  -0.807761D+00 -0.460379D+01  0.316398D+00  0.190688D+00 -0.129564D+01
      3   0.436941D+00  0.379625D+00  0.190688D+00  0.363293D+00  0.185378D+00
               266           267           268           269           270 
      1  -0.129564D+01  0.185378D+00  0.695502D+00  0.248657D+00 -0.120034D+01
      2   0.317982D+01  0.412764D+00  0.248657D+00  0.554014D+00  0.467506D+01
      3   0.412764D+00  0.397360D+01 -0.120034D+01  0.467506D+01 -0.107495D+01
               271           272           273           274           275 
      1   0.124660D+01  0.207689D+01 -0.255877D+00  0.878814D+01  0.348140D+01
      2   0.207689D+01  0.129153D+01  0.156876D-01  0.348140D+01  0.104615D+02
      3  -0.255877D+00  0.156876D-01  0.689516D-01  0.143112D+00 -0.490629D+00
               276           277           278           279           280 
      1   0.143112D+00 -0.535366D+00 -0.138494D+00  0.112558D+01  0.104028D+01
      2  -0.490629D+00 -0.138494D+00 -0.652089D+00  0.243622D+01 -0.120118D+00
      3   0.189480D+01  0.112558D+01  0.243622D+01 -0.637677D+00  0.834905D+00
               281           282           283           284           285 
      1  -0.120118D+00  0.834905D+00 -0.160739D+01  0.151084D+01 -0.630032D+00
      2  -0.407124D-01 -0.101101D+00  0.151084D+01 -0.358926D+01  0.192623D+01
      3  -0.101101D+00  0.163250D+00 -0.630032D+00  0.192623D+01 -0.260626D+01
               286           287           288           289           290 
      1   0.273914D+01 -0.123165D+01  0.166675D+01  0.932699D+01  0.186403D+01
      2  -0.123165D+01  0.270236D+01 -0.299139D+01  0.186403D+01  0.138505D+01
      3   0.166675D+01 -0.299139D+01  0.501423D+01 -0.223433D+00 -0.531457D-01
               291           292           293           294           295 
      1  -0.223433D+00  0.449785D+01  0.166962D+01 -0.700779D-01 -0.544791D+00
      2  -0.531457D-01  0.166962D+01  0.131118D+01 -0.115572D+00 -0.562308D-01
      3   0.110089D+01 -0.700779D-01 -0.115572D+00  0.333520D+00  0.126570D+01
               296           297           298           299           300 
      1  -0.562308D-01  0.126570D+01  0.826342D+00 -0.181056D+00 -0.711328D+00
      2  -0.170842D+00 -0.110151D+00 -0.181056D+00 -0.182118D+00  0.735669D-02
      3  -0.110151D+00 -0.596908D-01 -0.711328D+00  0.735669D-02 -0.126515D-01
               301           302           303           304           305 
      1  -0.188481D+01  0.164930D+01  0.429671D+00 -0.243120D+01  0.107848D+01
      2   0.164930D+01 -0.465178D+01 -0.211250D+01  0.107848D+01 -0.300032D+01
      3   0.429671D+00 -0.211250D+01 -0.259409D+01  0.123347D+01 -0.289663D+01
               306 
      1   0.123347D+01
      2  -0.289663D+01
      3  -0.359483D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.322239D+01 -0.141835D+01 -0.682347D+01 -0.170960D+01  0.102056D+02
      2   0.242084D+01  0.833213D+01  0.172934D+02  0.601670D+01  0.179601D+01
      3  -0.310629D+00 -0.631935D+01 -0.595031D+01 -0.182190D+01 -0.795825D+01
                 6             7             8             9            10 
      1   0.321855D+01 -0.614173D+01  0.804894D+01 -0.872027D+01 -0.945651D+00
      2  -0.163985D+01  0.815850D+01 -0.356804D+01 -0.959175D+01  0.180408D+01
      3   0.108085D+00 -0.267699D+01 -0.830670D+00  0.964512D+01  0.863372D+01
                11            12            13            14            15 
      1  -0.494365D+01  0.563899D+01 -0.507940D+01 -0.830976D+01 -0.104071D+02
      2  -0.745423D+00  0.254935D+01 -0.282588D+00  0.203606D+01  0.251664D+01
      3  -0.138651D+02  0.127820D+01 -0.835904D+01  0.246053D+00  0.298329D+01
                16            17            18            19            20 
      1   0.385863D+01 -0.276121D+01  0.722043D+01  0.685508D+01  0.345207D+00
      2  -0.183171D+01  0.132697D+01 -0.496145D+00 -0.671325D+01 -0.367329D+01
      3  -0.141228D+00  0.246488D+01 -0.535498D+01 -0.800447D+01 -0.414046D+01
                21            22            23            24            25 
      1   0.459077D+00  0.197295D+01 -0.101091D+02 -0.547882D+01 -0.121307D+00
      2  -0.453442D+01 -0.418316D+01 -0.318382D+01  0.138889D+01 -0.141575D+02
      3  -0.285346D+01  0.222763D+01  0.638045D+01  0.186001D+01 -0.223153D+01
                26            27            28            29            30 
      1   0.124500D+01  0.705588D+01 -0.810214D+01 -0.228893D-01  0.446185D+01
      2   0.348733D+01  0.129867D+02  0.424803D+01  0.373486D+01  0.467493D+01
      3   0.772552D+00 -0.319719D+01  0.293075D+01  0.195625D+01  0.450089D+01
                31            32            33            34            35 
      1  -0.451718D+00  0.103864D+02 -0.821923D+01  0.607318D+01 -0.114969D+01
      2   0.735843D+01 -0.156811D+01 -0.555843D+00 -0.856757D+00 -0.119033D+00
      3   0.853956D+01  0.302306D+01 -0.152826D+01  0.435054D+01 -0.566995D+00
                36            37            38            39            40 
      1  -0.146395D+01  0.554689D+00  0.103844D+01 -0.200275D+01 -0.112846D+01
      2  -0.723883D+01  0.516184D+01 -0.234477D+01  0.103407D+01 -0.422316D+01
      3  -0.411876D+01 -0.324305D+01  0.435661D+01  0.790907D+00  0.694961D+01
                41            42            43            44            45 
      1   0.117927D+01 -0.196569D+01 -0.505129D+01  0.131935D+01 -0.451972D+01
      2  -0.150666D+01 -0.204999D+01 -0.449527D+01 -0.222057D+01  0.195855D+01
      3   0.102671D+01  0.151522D+01 -0.991875D+00 -0.809310D-01  0.120858D+01
                46            47            48            49            50 
      1  -0.276579D+01  0.725726D+00 -0.419241D+00  0.213031D+01  0.418363D+01
      2  -0.236259D+01  0.442553D+01 -0.350898D+00  0.418080D+01 -0.352504D+01
      3  -0.296380D+01  0.126052D+01 -0.200416D+01  0.821565D+01 -0.168669D+01
                51            52            53            54            55 
      1   0.236577D+01  0.324046D+00  0.101237D+02  0.890037D+00  0.257696D+01
      2   0.485650D-01 -0.952139D+01 -0.331808D+00  0.215088D+01 -0.104163D+02
      3   0.180240D+01 -0.223169D+01  0.424926D+01  0.142662D+01  0.698308D+01
                56            57            58            59            60 
      1   0.465787D+01 -0.156248D+01  0.284269D+01  0.236130D+01 -0.124620D+01
      2  -0.324753D+01 -0.401880D-01 -0.376556D+01 -0.269400D+01  0.292264D+00
      3  -0.187029D+01  0.154292D+01  0.226296D+01 -0.748058D+00 -0.375314D-01
                61            62            63            64            65 
      1  -0.308331D+00  0.126705D+01  0.289658D+00 -0.877121D+00 -0.279670D+01
      2  -0.238009D+01 -0.157717D+00  0.560103D+00  0.940832D+01 -0.448675D+01
      3   0.126594D+01 -0.491346D+00  0.119861D+00 -0.612573D+01  0.205813D+01
                66            67            68            69            70 
      1   0.424860D+01 -0.637356D+00 -0.126596D+00 -0.122937D+01  0.238399D+01
      2  -0.935059D+01 -0.243715D+01  0.359282D+01  0.281813D+01 -0.945327D+01
      3   0.580751D+01  0.322113D+01 -0.197068D+01 -0.308065D+01  0.457610D+01
                71            72            73            74            75 
      1   0.296448D+01 -0.485311D+01  0.129262D+01  0.460149D+00  0.370698D+01
      2   0.446041D+01  0.127203D+02  0.460279D+00 -0.177088D+00  0.114312D+01
      3  -0.250702D+01 -0.718458D+01 -0.192243D+02  0.719238D+01 -0.887173D+00
                76            77            78            79            80 
      1  -0.142308D+00  0.122961D+01 -0.207462D+01  0.127979D+01  0.310262D+00
      2  -0.369384D+00  0.166639D+00 -0.108488D+01 -0.184180D+01  0.308216D+00
      3   0.838985D+01 -0.665652D+01 -0.296393D+00  0.294702D-01 -0.614160D+00
                81            82            83            84            85 
      1  -0.436905D+00  0.202388D+01  0.209303D+01 -0.511943D+01  0.190483D+01
      2  -0.255445D+00 -0.187206D+00 -0.528178D+00  0.230738D+01  0.234283D+00
      3  -0.170545D+01  0.657188D+01  0.115410D+01 -0.177818D+01  0.480471D+01
                86            87            88            89            90 
      1   0.388585D+01 -0.469898D+01 -0.231046D+01 -0.957996D+00  0.429081D+01
      2  -0.845703D+00  0.182133D+01 -0.601546D+00  0.104547D+01 -0.121276D+01
      3  -0.510866D-01 -0.678244D+00 -0.269529D+01 -0.103786D+00  0.138316D+01
                91            92            93            94            95 
      1   0.243765D+01 -0.450834D+00  0.184780D+01  0.975682D-01  0.123845D+01
      2   0.361994D+01 -0.277999D+01  0.141609D+02 -0.363820D+01  0.780313D+01
      3   0.155341D+02 -0.354159D+01  0.933229D+00  0.843848D+01 -0.106648D+02
                96            97            98            99           100 
      1  -0.505113D+01  0.169198D+01  0.188017D+01 -0.464789D+01 -0.218700D+01
      2  -0.223081D+01  0.582299D+01 -0.165458D+01 -0.128983D+02 -0.261872D+01
      3  -0.773907D+01  0.122482D+01 -0.672292D+01 -0.429282D+00  0.700687D+00
               101           102           103           104           105 
      1   0.331118D+01  0.132125D+00  0.170638D+01 -0.320084D+01  0.105476D+01
      2   0.117495D+01  0.286927D+01  0.254832D+01  0.122413D+01 -0.255767D+01
      3  -0.312034D+01  0.857237D+00  0.369812D+00  0.286781D+01 -0.307133D+01
               106           107           108           109           110 
      1  -0.527003D+00  0.516992D+01 -0.975998D+00 -0.167354D+01 -0.621102D+00
      2  -0.204192D+01 -0.141179D+01  0.404413D+01 -0.189952D+00  0.136364D+01
      3  -0.579795D+00 -0.323464D+01  0.213292D+01  0.545866D+00  0.456374D+00
               111           112           113           114           115 
      1  -0.309191D+00 -0.112298D+01 -0.129797D+02 -0.141603D+01  0.331488D-01
      2   0.380256D-01  0.300582D+01  0.280077D+01  0.446918D+00 -0.165100D+01
      3  -0.231217D+00  0.575889D+01 -0.162853D+01 -0.270745D+00 -0.420622D+00
               116           117           118           119           120 
      1   0.971554D+00 -0.103736D+01  0.401405D+01 -0.229210D+01 -0.347946D+01
      2  -0.150730D+00  0.120444D+01  0.763601D+01 -0.853470D+00 -0.982537D+00
      3  -0.453629D+00  0.392537D+00  0.424249D+01 -0.249055D+01 -0.350594D+01
               121           122           123           124           125 
      1  -0.181940D+01  0.189871D+01  0.291247D+01 -0.272679D+01  0.449401D+01
      2  -0.459691D+01  0.100056D+01  0.192340D+00 -0.637488D+01 -0.287454D+00
      3  -0.841985D+00  0.167990D+01  0.139613D+01 -0.354415D+01  0.174934D+01
               126           127           128           129           130 
      1   0.591501D+01  0.842682D+00 -0.396435D-01 -0.780438D+00  0.314063D+00
      2   0.301304D+01 -0.811262D-01  0.103100D+00  0.513303D+00 -0.158226D+01
      3   0.379388D+01  0.114987D+01  0.714431D+00  0.463885D+00  0.656754D+01
               131           132           133           134           135 
      1   0.658377D+00 -0.245953D+01  0.878239D+00  0.117023D+01 -0.189251D+01
      2   0.194252D+01  0.209163D+01 -0.365294D+01  0.101580D+01  0.259660D+01
      3  -0.235264D+01 -0.115611D+01  0.213600D+01 -0.119734D+01 -0.293237D+00
               136           137           138           139           140 
      1  -0.167309D+00  0.146640D+00 -0.412868D+00  0.614626D-01 -0.162155D+01
      2  -0.808516D+00 -0.903090D+00  0.790315D+01  0.227234D+01  0.645711D+00
      3   0.160108D+02 -0.915236D+01  0.173724D+01  0.131772D+02  0.475764D+01
               141           142           143           144           145 
      1  -0.351807D+01  0.578297D+00  0.123024D+01  0.334106D+00  0.101589D+02
      2  -0.110818D+01 -0.827132D+01 -0.265653D+01  0.614917D+00  0.232021D+01
      3  -0.774553D+00 -0.139886D+00  0.447783D+00  0.202198D+01  0.309717D+01
               146           147           148           149           150 
      1  -0.397685D+00 -0.793723D-01 -0.705776D+00 -0.800373D+01 -0.191964D+02
      2  -0.134780D+02  0.157785D+02 -0.126346D+02  0.285573D+01  0.761155D+00
      3  -0.645433D+01  0.390688D+01 -0.263249D+01 -0.156541D+00 -0.191121D+01
               151           152           153           154           155 
      1  -0.542030D+00 -0.103682D+02 -0.344730D+01 -0.117317D+01  0.506177D-01
      2   0.664293D+01  0.135558D+01 -0.195268D+01 -0.834352D+01  0.400168D+01
      3   0.232425D+01 -0.213905D+01 -0.106705D+01 -0.160715D+02  0.147988D+01
               156           157           158           159           160 
      1   0.569701D+00  0.797335D+00  0.311379D+01 -0.784565D+00  0.147005D+01
      2  -0.110674D+02  0.500506D+01 -0.100449D+02  0.279771D+01 -0.224930D+02
      3  -0.290636D+01  0.976320D+01  0.205717D+02  0.931931D+01 -0.370303D+01
               161           162           163           164           165 
      1   0.297884D+01 -0.102987D+01 -0.862958D+01  0.219910D+01 -0.631294D+01
      2   0.189306D+01  0.184614D+02 -0.307245D+01  0.746904D+01 -0.466749D+01
      3   0.969226D+01 -0.239797D+01 -0.143206D+02 -0.167864D+02  0.954515D+00
               166           167           168           169           170 
      1   0.221068D+01 -0.658319D+01  0.140159D+01 -0.878354D+01  0.100772D+02
      2   0.662514D+01 -0.600783D+01  0.151790D+01 -0.106484D+02  0.460767D+01
      3  -0.114832D+02  0.347079D+01  0.406295D+01  0.186355D+01  0.433647D+01
               171           172           173           174           175 
      1   0.145138D+02 -0.497592D+01  0.544582D+01 -0.190880D+00  0.379654D+01
      2   0.115385D+02 -0.160006D+02  0.738889D+01 -0.615346D+01  0.852106D+01
      3   0.287142D+01 -0.725855D+01  0.157451D+01 -0.290420D+01  0.494890D+01
               176           177           178           179           180 
      1  -0.463592D+01  0.198163D+01 -0.885552D+00  0.338695D+01 -0.964083D+00
      2  -0.588475D+01  0.339308D+01 -0.610715D+01  0.309577D+01 -0.476667D+01
      3  -0.201751D+01  0.219993D+01 -0.176646D+01  0.641717D+00 -0.216155D+01
               181           182           183           184           185 
      1  -0.441322D+01 -0.536439D+01  0.196004D-01 -0.353889D+01 -0.423913D+01
      2   0.120997D+02  0.497666D+01 -0.144149D+01  0.654175D+01  0.281687D+01
      3   0.352625D+01 -0.122863D+01 -0.638139D+00  0.231824D+01 -0.107748D+01
               186           187           188           189           190 
      1   0.171469D+01  0.963267D+00  0.349733D+01 -0.114027D+01  0.134397D+01
      2  -0.761537D+00 -0.424261D+01 -0.158769D+01  0.224991D+01 -0.853768D+00
      3   0.464173D+00 -0.855203D+00  0.753044D+00  0.662678D+00  0.214014D+00
               191           192           193           194           195 
      1  -0.762727D-01  0.551010D+00 -0.157507D+00  0.162968D+02  0.887105D+01
      2  -0.747660D+00 -0.182845D+01 -0.386044D+01 -0.138607D+01 -0.297031D+01
      3  -0.485679D+00 -0.612925D+00  0.176733D+01  0.184812D+01  0.154078D+01
               196           197           198           199           200 
      1   0.189182D+00  0.955248D+01  0.863345D+01 -0.726569D+00 -0.950933D-03
      2  -0.375211D+01 -0.150897D+01 -0.282033D+01  0.205831D+01  0.387273D+00
      3   0.252612D+00  0.124821D+01  0.123639D+01 -0.394321D+01 -0.266940D+01
               201           202           203           204           205 
      1  -0.351283D+00 -0.170571D-01 -0.303674D+01 -0.376023D+01  0.307258D-01
      2   0.137382D+01 -0.157614D+00  0.528482D+01  0.541623D+01  0.605517D+00
      3   0.455010D+00 -0.975467D+00 -0.265430D+02 -0.563230D+01  0.767340D+00
               206           207           208           209           210 
      1  -0.390749D+00 -0.969732D+00  0.957872D-01  0.543255D+00  0.334339D+00
      2   0.381540D+01  0.178726D+01  0.942074D+01 -0.288620D+01  0.902652D+01
      3  -0.585651D+01 -0.347935D+01  0.838017D+01 -0.770241D+01  0.295361D+01
               211           212           213           214           215 
      1  -0.327462D+00 -0.512239D+00 -0.105890D+01 -0.102436D+00  0.113334D+01
      2  -0.427917D+01  0.398016D+01 -0.528678D+01  0.845794D+01 -0.301290D+01
      3  -0.559195D+01  0.575697D+01 -0.354251D+01  0.378014D+01 -0.590379D+01
               216           217           218           219           220 
      1   0.414948D+00  0.476436D+00 -0.801155D+00 -0.782053D+00 -0.862102D-01
      2   0.665572D+01 -0.543473D+01 -0.429535D+00  0.780071D+01 -0.124341D+00
      3   0.307610D+01  0.116686D+01 -0.239143D+01 -0.155171D+00 -0.138134D+01
               221           222           223           224           225 
      1   0.288737D-01 -0.578522D+00 -0.563386D+00  0.314034D+01  0.178862D+01
      2  -0.204169D+01 -0.851840D+00  0.888457D+01  0.162958D+00 -0.264636D+02
      3  -0.111719D+01  0.192999D+01  0.477962D+00  0.473067D+01  0.122408D-01
               226           227           228           229           230 
      1   0.361840D+01  0.146711D+01 -0.344665D+01  0.173133D+01  0.269737D+01
      2  -0.338304D+01 -0.216870D+01  0.640103D+00 -0.189304D+01 -0.120826D+01
      3   0.200197D+02  0.964314D+01 -0.149118D+01  0.116505D+02  0.106981D+02
               231           232           233           234           235 
      1  -0.291619D+01 -0.172208D+01 -0.779344D+00  0.185309D+00 -0.197529D+01
      2  -0.112890D+00 -0.115941D+01 -0.109062D+01 -0.822591D+00 -0.150967D+01
      3  -0.415995D+00 -0.212843D+01 -0.949879D+00  0.244106D+01  0.127980D+00
               236           237           238           239           240 
      1   0.100555D+00  0.356113D+01  0.388263D+00 -0.184855D+01 -0.139718D+01
      2   0.456625D+00  0.353616D+01 -0.292147D+00 -0.183717D+01 -0.676876D+00
      3  -0.349679D+00  0.134512D+01  0.117856D+01  0.994385D-01  0.131141D+01
               241           242           243           244           245 
      1   0.441141D+01  0.100723D+00 -0.182189D+02  0.564631D+01 -0.379767D+01
      2   0.657395D+00 -0.425047D+01 -0.162217D+02  0.511308D+01 -0.402782D+01
      3   0.263012D+01  0.404788D+01  0.494921D+00 -0.357738D+01 -0.243690D+01
               246           247           248           249           250 
      1   0.533857D+01 -0.364074D+01  0.492515D+01 -0.427640D+01  0.443420D+01
      2   0.564528D+01 -0.317510D+01  0.427100D+01 -0.302601D+01  0.358138D+01
      3  -0.131763D+01  0.280176D+01  0.325623D+01 -0.645231D+00 -0.240670D+01
               251           252           253           254           255 
      1  -0.331604D+01  0.339786D+01 -0.316298D+00 -0.221561D+00 -0.130158D+01
      2  -0.387107D+01  0.338319D+01 -0.301963D+01 -0.101570D+01 -0.112863D+02
      3  -0.326919D+01 -0.262534D+00 -0.143903D+02  0.259269D+01  0.549715D+00
               256           257           258           259           260 
      1   0.546959D+00  0.149925D+01  0.739728D+01  0.745660D+00  0.984633D+01
      2  -0.236020D+01  0.207206D+01 -0.831075D+01 -0.200920D+02 -0.912222D+00
      3   0.940699D+00  0.232432D+02 -0.177826D+01  0.243931D+01 -0.263228D+01
               261           262           263           264           265 
      1  -0.181589D+01 -0.156054D+00  0.417569D+00  0.168091D+01  0.449355D-01
      2   0.187883D+01  0.175108D+01  0.157653D+01  0.574150D+01  0.206394D+01
      3   0.276545D+01  0.225970D+02 -0.153450D+01 -0.117745D+01  0.152807D+02
               266           267           268           269           270 
      1   0.901186D+00  0.223284D+01 -0.371151D+01  0.780807D+01 -0.658271D+00
      2   0.191683D+01  0.175521D+02 -0.930510D+01  0.229040D+02 -0.504965D+01
      3  -0.135681D+02 -0.196034D+01 -0.153796D+01 -0.283994D+01 -0.209721D+02
               271           272           273           274           275 
      1   0.607034D+00  0.386979D+00  0.828487D+00  0.951141D-01  0.263382D-02
      2  -0.996505D+00 -0.357982D-01  0.667780D+01  0.638048D+00 -0.243786D+01
      3  -0.761273D+01 -0.769501D+01 -0.414033D+00  0.341390D+01 -0.382180D+02
               276           277           278           279           280 
      1  -0.994487D+01 -0.240594D+00  0.341748D+00  0.114566D+01  0.433574D+00
      2   0.114726D+02  0.485530D+01  0.781074D+01 -0.316901D+01  0.337172D+01
      3   0.204153D+01 -0.104727D+01  0.270288D+01 -0.784636D+01  0.223113D-01
               281           282           283           284           285 
      1  -0.135787D+00 -0.667594D-01 -0.731995D+00  0.101225D+01 -0.357639D+01
      2  -0.368218D+00  0.776735D+00 -0.235147D+01  0.877734D+01 -0.116406D+02
      3  -0.505206D+00 -0.415508D+00 -0.375416D+01  0.144384D+02 -0.797888D+01
               286           287           288           289           290 
      1   0.126685D+01 -0.940782D+00  0.497991D+01 -0.109639D+00  0.333973D-02
      2   0.523380D+01 -0.134296D+02  0.222025D+02 -0.202565D+01 -0.527007D+00
      3   0.221646D+01 -0.112755D+02  0.124840D+02 -0.147116D+02 -0.100902D+02
               291           292           293           294           295 
      1   0.296729D+00  0.647962D-01 -0.439139D-01 -0.821497D+00  0.748783D+00
      2   0.707530D+01 -0.737773D+00 -0.690000D+00  0.203794D+01  0.415312D+01
      3   0.495550D+00 -0.846366D+01 -0.740224D+01  0.572217D+00  0.585262D+00
               296           297           298           299           300 
      1   0.432655D+00 -0.221026D-01 -0.561333D+00 -0.118490D-01 -0.235041D+00
      2  -0.636704D+00 -0.454745D+00 -0.324295D+01 -0.181063D+00  0.297074D+00
      3   0.922022D+00  0.373717D-01  0.533903D+00  0.296648D+00  0.883224D+00
               301           302           303           304           305 
      1   0.956670D+00 -0.223912D+01 -0.422793D+01  0.114587D+01 -0.173268D+01
      2   0.193259D+01 -0.101212D+02 -0.117006D+02  0.407132D+01 -0.131996D+02
      3  -0.387511D+01  0.192214D+02  0.903473D+01 -0.182175D+01  0.129106D+02
               306 
      1  -0.445393D+01
      2  -0.162373D+02
      3   0.122641D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.180619D+01 -0.112767D+02 -0.200924D+02 -0.778158D+01 -0.106232D+02
      2   0.791836D+01  0.422842D+01 -0.414761D+01  0.365809D+01  0.113327D+02
      3  -0.611217D+01  0.704824D+01  0.242400D+02  0.412348D+01 -0.709449D+00
      4  -0.167748D+02 -0.100049D+02 -0.133566D+02 -0.934102D+01  0.543771D+01
      5  -0.178794D+02 -0.155073D+02 -0.999330D+01 -0.122086D+02 -0.148558D+01
      6  -0.226963D+02 -0.739302D+01  0.514993D+01 -0.533180D+01  0.736631D+01
                 6             7             8             9            10 
      1   0.165936D+01 -0.135314D+02  0.251516D+01  0.147548D+02  0.100928D+02
      2   0.763623D+01 -0.372229D+01  0.751596D+01 -0.629393D+01 -0.215724D+02
      3  -0.929559D+01  0.172537D+02 -0.100311D+02 -0.846085D+01  0.114795D+02
      4  -0.106561D+01 -0.747750D+01  0.148651D-01 -0.703562D+00  0.724181D+00
      5  -0.613380D+01 -0.264423D+01 -0.563892D+01  0.110774D+02  0.421881D+01
      6  -0.567237D+01  0.417103D+01 -0.740721D+01 -0.937980D+01  0.576527D+01
                11            12            13            14            15 
      1  -0.165882D+01  0.616358D-02 -0.273230D+01 -0.331003D+00 -0.484903D+01
      2  -0.200773D+01  0.911055D+01 -0.867906D+00 -0.337263D+01  0.124865D+02
      3   0.366655D+01 -0.911671D+01  0.360020D+01  0.370363D+01 -0.763750D+01
      4  -0.173540D+02  0.668355D+01 -0.131709D+02 -0.226104D+01  0.103243D+02
      5   0.554135D+01 -0.433211D+01  0.464777D+01  0.806991D+01  0.433541D+01
      6   0.816374D+01 -0.652321D+01  0.640483D+01  0.104873D+02  0.175052D+01
                16            17            18            19            20 
      1  -0.263414D+01 -0.649736D+01 -0.431232D+01 -0.139990D+00  0.563104D+01
      2   0.891437D+01  0.149610D+02  0.977918D+01 -0.235376D-01 -0.578939D+01
      3  -0.628023D+01 -0.846367D+01 -0.546686D+01  0.163527D+00  0.158343D+00
      4   0.346282D+01  0.104066D+02 -0.386228D+01  0.993142D+01 -0.421436D+01
      5  -0.443780D+01  0.247589D+00 -0.533429D+01 -0.146039D+01  0.115734D+02
      6  -0.527934D+01  0.905559D+00 -0.364664D+01  0.119236D+02  0.785775D+00
                21            22            23            24            25 
      1   0.644172D+01  0.490300D+01  0.484191D+01 -0.113468D+01  0.120879D+02
      2   0.111707D+02 -0.625554D+01  0.746335D+00 -0.874078D+01  0.511689D+01
      3  -0.176124D+02  0.135254D+01 -0.558825D+01  0.987545D+01 -0.172048D+02
      4   0.818114D+01 -0.409151D+01 -0.745322D+01 -0.106490D+02  0.677077D+01
      5  -0.159068D+02  0.105725D+02 -0.112798D+02  0.119945D+02 -0.209577D+02
      6   0.103741D+02 -0.323742D+01 -0.861335D+01 -0.853641D+01  0.853051D+01
                26            27            28            29            30 
      1  -0.168720D+01 -0.175566D+02 -0.240070D+00  0.154665D+01 -0.928135D+01
      2  -0.642322D+01  0.106711D+02  0.822132D+01 -0.309735D+01 -0.707853D+01
      3   0.811042D+01  0.688554D+01 -0.798125D+01  0.155071D+01  0.163599D+02
      4  -0.514553D+01  0.147565D+02  0.164276D+01  0.139381D+01 -0.482638D+00
      5   0.140959D+02 -0.775219D+01 -0.701880D+00 -0.432135D+01 -0.727371D+01
      6  -0.491038D+01  0.942340D+01 -0.752666D+01  0.154082D+00 -0.284564D+01
                31            32            33            34            35 
      1   0.132608D+01  0.137110D+02  0.221541D+01 -0.125420D+02  0.275164D+01
      2  -0.443211D+01 -0.205404D+02  0.110289D+02 -0.477957D+01  0.468907D+01
      3   0.310603D+01  0.682939D+01 -0.132443D+02  0.173216D+02 -0.744071D+01
      4   0.265650D+01  0.390349D+00  0.170102D+01 -0.207757D+01 -0.329494D+00
      5  -0.517870D+01  0.661527D+01  0.226315D+01 -0.237813D+01 -0.344344D+00
      6   0.304298D+01  0.199073D+02 -0.136050D+01 -0.475388D+01  0.138210D+01
                36            37            38            39            40 
      1  -0.246417D+01 -0.378099D+02  0.325556D+01  0.804453D+00  0.102844D+02
      2   0.412072D+01  0.191725D+02 -0.326465D+01  0.104593D+00 -0.365701D+01
      3  -0.165655D+01  0.186374D+02  0.909762D-02 -0.909047D+00 -0.662738D+01
      4  -0.357357D+01 -0.193910D+01 -0.110683D+02  0.179001D+01 -0.391833D+01
      5   0.934799D+01  0.690967D+00  0.254239D+01 -0.970546D+01  0.344839D+01
      6  -0.728477D+01  0.468597D+01 -0.109804D+01 -0.118005D+01 -0.220577D+01
                41            42            43            44            45 
      1   0.295431D+01 -0.152245D+01  0.430002D+01 -0.286023D+01  0.843378D+01
      2   0.186063D+00 -0.269185D+01  0.276025D-01  0.246472D+01 -0.290776D+01
      3  -0.314038D+01  0.421430D+01 -0.432762D+01  0.395505D+00 -0.552602D+01
      4   0.615732D+00 -0.211254D+01  0.160921D+01  0.240699D+00 -0.556424D+00
      5  -0.260811D+01 -0.282175D+01 -0.373810D+01 -0.187950D+01 -0.320973D+01
      6  -0.564095D+01 -0.843548D+01  0.930886D+00 -0.596645D+01 -0.813630D+00
                46            47            48            49            50 
      1  -0.178234D+02  0.788095D+01 -0.307802D+01  0.142776D+02 -0.624680D+01
      2   0.293496D+01  0.430123D+00  0.106150D+00 -0.618134D+01 -0.527109D+01
      3   0.148885D+02 -0.831107D+01  0.297187D+01 -0.809631D+01  0.115179D+02
      4   0.127846D+02 -0.261031D+01 -0.169532D+01 -0.629785D+00  0.400641D+00
      5  -0.350161D+01 -0.506064D+01  0.353892D+01 -0.416371D+01 -0.510733D+01
      6  -0.873633D+01  0.805597D+00  0.128577D+01  0.853414D+00 -0.649505D+01
                51            52            53            54            55 
      1   0.570367D+01 -0.794506D+01  0.901260D+01 -0.734957D+00  0.205741D+02
      2  -0.100422D+02  0.156978D+01 -0.139398D+02  0.444798D+00 -0.124482D+02
      3   0.433854D+01  0.637528D+01  0.492721D+01  0.290159D+00 -0.812590D+01
      4  -0.724740D+01  0.208815D+01 -0.106348D+02  0.126186D+01  0.260306D+02
      5   0.297633D+00  0.239133D+01 -0.160282D+01  0.760423D+01  0.293397D+02
      6   0.558103D+01  0.501133D+00  0.225422D+01  0.429320D+01  0.177095D+02
                56            57            58            59            60 
      1   0.401460D+01  0.481673D+01  0.377453D+01  0.117858D+01 -0.122126D+01
      2   0.378576D+00 -0.645011D+01  0.130747D+01  0.372433D+01 -0.452595D+00
      3  -0.439318D+01  0.163338D+01 -0.508200D+01 -0.490291D+01  0.167385D+01
      4   0.182584D+02  0.143237D+02  0.161121D+02  0.141048D+02  0.863308D+01
      5   0.155885D+02  0.212993D+02  0.115614D+02  0.110181D+02  0.867757D+01
      6   0.144863D+02  0.126609D+02  0.108479D+02  0.115812D+02  0.107375D+02
                61            62            63            64            65 
      1   0.268146D+01 -0.110977D+01 -0.764373D+00 -0.805069D+01  0.906358D+01
      2  -0.445057D+01 -0.229112D+01 -0.521075D+01 -0.234720D+01 -0.368623D+01
      3   0.176912D+01  0.340089D+01  0.597513D+01  0.103979D+02 -0.537735D+01
      4   0.799414D+01  0.594073D+01  0.823104D+01 -0.288933D+01  0.264560D+01
      5   0.145415D+02  0.813210D+01  0.128248D+02 -0.529033D+01  0.356266D+01
      6   0.778306D+01  0.892925D+01  0.112402D+02  0.102055D+02 -0.879933D+01
                66            67            68            69            70 
      1   0.170762D+02  0.422793D+01 -0.828374D+01 -0.816805D+01  0.107940D+02
      2   0.391819D+01 -0.271380D+01  0.305920D+01  0.199324D+01  0.227469D+01
      3  -0.209944D+02 -0.151413D+01  0.522454D+01  0.617481D+01 -0.130687D+02
      4   0.498131D+01  0.294162D+01 -0.125178D+01 -0.175690D+00  0.410719D+01
      5   0.728670D+01  0.271326D+01 -0.127476D+01  0.287045D+00  0.650464D+01
      6  -0.144996D+02 -0.436169D+01  0.841225D+01  0.137515D+02 -0.729204D+01
                71            72            73            74            75 
      1  -0.110613D+02 -0.287008D+02 -0.340873D+01  0.108457D+02  0.110231D+01
      2   0.161219D+00 -0.966690D+01  0.142619D+02 -0.192644D+02 -0.913937D+00
      3   0.109001D+02  0.383677D+02 -0.108532D+02  0.841873D+01 -0.188378D+00
      4   0.405337D+00 -0.160859D+01 -0.156238D+02  0.112565D+02 -0.122597D+01
      5   0.871124D+00 -0.185945D+01 -0.226151D+01  0.668917D+00  0.116693D+01
      6   0.150064D+02  0.248898D+02 -0.355392D+00 -0.195287D+01 -0.440923D+01
                76            77            78            79            80 
      1   0.592710D+01 -0.101115D+02 -0.531491D-02  0.589616D+00  0.179774D+00
      2  -0.124212D+02  0.205619D+02 -0.178693D+01 -0.124886D+01 -0.124030D+01
      3   0.649408D+01 -0.104503D+02  0.179225D+01  0.659241D+00  0.106053D+01
      4   0.103352D+02 -0.839722D+01 -0.661246D+00 -0.134748D-01 -0.134460D+01
      5   0.493099D+00 -0.160485D+01 -0.461106D+00  0.275118D+01 -0.709396D+00
      6  -0.147173D+01  0.315071D+00  0.359839D+01 -0.344311D+01  0.535113D+01
                81            82            83            84            85 
      1  -0.209628D+01  0.348263D+01 -0.399059D+01 -0.393830D+00 -0.214230D+01
      2   0.128710D+01  0.850130D+01  0.159669D+02 -0.380690D+01  0.104941D+02
      3   0.809185D+00 -0.119839D+02 -0.119764D+02  0.420073D+01 -0.835176D+01
      4  -0.150547D+01  0.148817D+02  0.193109D+02 -0.649436D+01  0.149393D+02
      5   0.487425D+00 -0.454722D+01 -0.404841D+01  0.522053D+01 -0.271352D+01
      6   0.131626D+01 -0.466774D+01 -0.550373D+01  0.693197D+01 -0.386495D+01
                86            87            88            89            90 
      1  -0.119427D+02  0.348848D+01  0.432164D+00  0.593784D+01 -0.305612D+01
      2   0.308785D+02 -0.882580D+01 -0.375805D+01 -0.121830D+02  0.434832D+01
      3  -0.189359D+02  0.533733D+01  0.332589D+01  0.624512D+01 -0.129220D+01
      4   0.217681D+02 -0.708387D+01 -0.620287D+01 -0.876839D+01  0.707238D+01
      5  -0.557727D+01  0.366068D+01  0.450972D+01  0.454818D+01 -0.469687D+01
      6  -0.942064D+01  0.723698D+01  0.548041D+01  0.960767D+01 -0.750959D+01
                91            92            93            94            95 
      1  -0.433486D+01 -0.285240D+02  0.804012D+01 -0.329777D+02  0.931038D+01
      2   0.957454D+01  0.130546D+02 -0.289360D+01  0.160886D+02 -0.935344D+01
      3  -0.523968D+01  0.154694D+02 -0.514653D+01  0.168891D+02  0.430633D-01
      4  -0.286148D+02  0.859801D+01 -0.247986D+01  0.565068D+01  0.137736D+02
      5   0.480351D+01 -0.605414D+00  0.162040D+02 -0.198127D+01  0.104168D+02
      6   0.358436D+01 -0.386305D+00 -0.255384D+01 -0.379816D+00 -0.233959D+01
                96            97            98            99           100 
      1  -0.213575D+01  0.745422D+01  0.963863D+00  0.185361D+02  0.982839D+01
      2  -0.218134D+01 -0.188806D+01 -0.587841D+01 -0.713357D+01 -0.124191D+02
      3   0.431709D+01 -0.556616D+01  0.491455D+01 -0.114026D+02  0.259075D+01
      4   0.132635D+02 -0.353235D+01  0.133881D+02 -0.669397D+01 -0.110873D+02
      5  -0.623748D+01  0.171474D+02 -0.418287D+01 -0.172271D+02  0.213305D+02
      6  -0.559437D+00 -0.304359D+01  0.984174D+00  0.365138D+01 -0.888378D+01
               101           102           103           104           105 
      1  -0.317725D+01  0.243113D+01 -0.208752D+01 -0.337698D+01  0.393958D+01
      2   0.390496D+01 -0.117851D+02  0.322039D+01 -0.100310D+01  0.391366D+01
      3  -0.727706D+00  0.935397D+01 -0.113286D+01  0.438007D+01 -0.785324D+01
      4   0.940396D+01 -0.848348D+01  0.976158D+01 -0.961632D+01  0.102566D+02
      5  -0.105850D+02  0.244359D+02 -0.107001D+02  0.120373D+02 -0.132178D+02
      6   0.655895D+01 -0.866941D+01  0.759052D+01 -0.111597D+02  0.151115D+02
               106           107           108           109           110 
      1  -0.125541D+01  0.356819D+01 -0.808870D+01 -0.213076D-01 -0.941964D+00
      2  -0.978278D+01  0.474133D+01 -0.176583D+02  0.267619D+01  0.237543D+01
      3   0.110382D+02 -0.830952D+01  0.257470D+02 -0.265488D+01 -0.143347D+01
      4  -0.636140D+01  0.730968D+01 -0.106571D+02  0.614828D+00  0.579335D+01
      5   0.210497D+02 -0.114917D+02  0.293943D+02 -0.893464D+00 -0.222220D+01
      6  -0.777421D+01  0.118868D+02 -0.154060D+02 -0.276736D+01 -0.137566D+01
               111           112           113           114           115 
      1   0.111776D+01 -0.101795D+01 -0.261546D+02  0.101070D+02  0.280952D+01
      2   0.211406D+00  0.252665D+01  0.367032D+02 -0.803919D+01 -0.971165D-02
      3  -0.132916D+01 -0.150871D+01 -0.105486D+02 -0.206785D+01 -0.279981D+01
      4  -0.128719D+01  0.561691D+01  0.178214D+01 -0.130485D+01 -0.127059D+00
      5   0.317626D+01 -0.356435D+01 -0.449878D+01  0.124180D+01  0.276201D+01
      6   0.114645D+01 -0.422588D+01 -0.282608D+02  0.132555D+02  0.190993D+01
               116           117           118           119           120 
      1   0.561248D+01 -0.538070D+01  0.197513D+01 -0.114509D+01  0.460646D+01
      2  -0.241364D+01  0.319849D+01 -0.101347D+02  0.161204D+01  0.784500D+01
      3  -0.319883D+01  0.218220D+01  0.815958D+01 -0.466948D+00 -0.124515D+02
      4   0.350531D-01  0.533856D+00  0.161066D+01  0.149451D+01 -0.156341D+01
      5   0.919322D+00 -0.192180D+01 -0.124800D+02  0.117334D+01  0.133761D+02
      6   0.996532D+01 -0.632785D+01  0.569884D-01 -0.264292D+01  0.214096D+01
               121           122           123           124           125 
      1   0.511208D-01 -0.380025D+01 -0.355514D+01  0.369191D+01  0.473032D-01
      2   0.283678D+01  0.948268D+00 -0.491130D+01  0.790639D+01 -0.287196D+01
      3  -0.288790D+01  0.285199D+01  0.846644D+01 -0.115983D+02  0.282466D+01
      4   0.118832D+01 -0.671584D+00 -0.117733D+01 -0.166966D+01 -0.128412D+01
      5   0.434151D+01 -0.302290D+01 -0.392974D+01  0.122487D+02 -0.290833D+00
      6  -0.243939D+01  0.396294D-01  0.459491D+01  0.223133D+01  0.462155D+01
               126           127           128           129           130 
      1  -0.132767D+02  0.865987D+01  0.558938D+00  0.125620D+01  0.438854D+01
      2  -0.136319D+02 -0.320517D+01  0.173440D+00 -0.411781D+00 -0.201403D+01
      3   0.269087D+02 -0.545470D+01 -0.732378D+00 -0.844419D+00 -0.237451D+01
      4   0.188587D+01  0.161040D+01  0.324800D+01  0.199937D+01  0.427361D+01
      5  -0.140912D+02  0.222104D+01  0.152280D+01  0.303842D+01  0.218152D+01
      6  -0.195309D+01  0.272185D+01  0.113950D+01  0.173003D+01  0.135955D+01
               131           132           133           134           135 
      1  -0.881500D+01 -0.492896D+01  0.188703D+01 -0.422149D+01 -0.829212D+01
      2   0.102712D+02  0.457754D+01 -0.178805D+01  0.233742D+01  0.145407D+01
      3  -0.145619D+01  0.351420D+00 -0.989845D-01  0.188407D+01  0.683805D+01
      4   0.297466D+01  0.261468D+01  0.179213D+01  0.220110D+01  0.234620D+01
      5   0.259395D+01  0.270670D+01  0.370599D+01  0.270104D+01  0.441169D+01
      6   0.928488D+01  0.847838D+01  0.123749D+01  0.754607D+01  0.859944D+01
               136           137           138           139           140 
      1   0.241725D+02 -0.943874D+01  0.473873D+01 -0.243142D+02 -0.343344D+01
      2  -0.131901D+02  0.281686D+01 -0.236982D+01  0.132631D+02  0.487875D+01
      3  -0.109824D+02  0.662188D+01 -0.236890D+01  0.110511D+02 -0.144532D+01
      4  -0.840938D+01  0.187563D+02 -0.159285D+01  0.114171D+02 -0.317890D+01
      5   0.339824D+01 -0.128299D+01  0.159842D+02 -0.203300D+01  0.127709D+01
      6  -0.950719D+00 -0.615947D+00  0.507542D+00 -0.296506D-01  0.322880D+00
               141           142           143           144           145 
      1   0.480374D+00  0.307539D+01  0.920062D+00 -0.483911D+01  0.123310D+02
      2   0.403813D+00 -0.677505D+00 -0.287382D+00  0.111015D+01 -0.168828D+01
      3  -0.884187D+00 -0.239788D+01 -0.632680D+00  0.372897D+01 -0.106427D+02
      4   0.135274D+01 -0.106163D+01 -0.508239D+00 -0.285774D+01 -0.727691D+01
      5   0.119783D+01  0.127647D+01 -0.162090D+01  0.472027D+00  0.464348D+01
      6   0.527174D+01  0.585384D+00  0.332776D+01 -0.873012D+00  0.260150D+02
               146           147           148           149           150 
      1  -0.661076D+01  0.499404D+01 -0.648899D+01  0.103523D+02  0.657527D+01
      2   0.311979D+01 -0.347832D+01  0.340081D+01  0.915604D+01  0.853264D+01
      3   0.349098D+01 -0.151572D+01  0.308818D+01 -0.195083D+02 -0.151079D+02
      4  -0.891547D+01  0.104253D+02 -0.888907D+01  0.158433D+01  0.602819D+01
      5   0.214212D+02 -0.171779D+02  0.211739D+02  0.464276D+01  0.217292D+01
      6  -0.168113D+01 -0.561445D-01 -0.150081D+01 -0.338811D+01 -0.213215D+02
               151           152           153           154           155 
      1   0.423593D+01  0.302401D+01 -0.689649D+01 -0.729938D+00  0.313757D+02
      2  -0.172093D+01  0.907897D+01 -0.524948D+01  0.108556D+01 -0.160781D+02
      3  -0.251500D+01 -0.121030D+02  0.121460D+02 -0.355623D+00 -0.152975D+02
      4   0.620520D+01  0.478890D+01  0.130953D+01  0.314776D+02 -0.417788D+01
      5  -0.142021D+02  0.202375D+01 -0.408137D+01 -0.169071D+02  0.450039D+01
      6  -0.110196D+00 -0.160902D+02 -0.116819D+02 -0.103377D+01 -0.528179D+00
               156           157           158           159           160 
      1  -0.184905D+02  0.368743D+02 -0.852937D+01  0.778774D+01 -0.235574D+02
      2   0.598508D+01 -0.196449D+02  0.124060D+01 -0.418709D+01  0.572996D+01
      3   0.125054D+02 -0.172295D+02  0.728877D+01 -0.360065D+01  0.178275D+02
      4   0.479574D+01 -0.899189D+01 -0.269808D+02 -0.148422D+02  0.728523D+01
      5  -0.218428D+02  0.782093D+01 -0.140057D+02  0.595329D+01 -0.330141D+02
      6  -0.617299D+00 -0.831915D+00  0.114144D+01  0.119666D+01 -0.557667D-01
               161           162           163           164           165 
      1   0.687802D+01 -0.245647D+02  0.959119D+01  0.269714D+02 -0.776989D+01
      2  -0.341234D+01  0.202301D+02 -0.231167D+02 -0.129811D+02 -0.422542D+01
      3  -0.346567D+01  0.433453D+01  0.135255D+02 -0.139903D+02  0.119953D+02
      4  -0.154145D+02  0.462151D+01  0.233120D+02 -0.207402D+02  0.100285D+02
      5   0.492176D+01  0.330932D+02 -0.847925D+01  0.239960D+01 -0.927950D+01
      6   0.602596D+00  0.188840D+01  0.398761D+01 -0.722550D+01  0.831901D+01
               166           167           168           169           170 
      1   0.247455D+02 -0.940739D+01 -0.357141D+00 -0.109925D+02  0.127822D+01
      2  -0.122270D+02  0.834478D+01  0.104848D+02 -0.486987D+01  0.137506D+02
      3  -0.125185D+02  0.106261D+01 -0.101277D+02  0.158624D+02 -0.150289D+02
      4  -0.179826D+02 -0.693020D+01 -0.145210D+02  0.122938D+02 -0.177445D+02
      5   0.198519D+01 -0.119553D+02  0.226996D+01 -0.132860D+02  0.787733D+01
      6  -0.560799D+01  0.128870D+02 -0.598356D+00  0.113460D+02 -0.455452D+01
               171           172           173           174           175 
      1  -0.394472D+01 -0.582134D+01  0.795728D+01 -0.122014D+02  0.647274D+01
      2   0.113863D+02 -0.841838D+00 -0.385928D+01 -0.345677D+01 -0.377692D+01
      3  -0.744163D+01  0.666318D+01 -0.409800D+01  0.156582D+02 -0.269581D+01
      4   0.133887D+02 -0.718387D+01  0.554605D+01 -0.471907D+01  0.617557D+01
      5   0.255928D+02  0.184778D+02 -0.102119D+02  0.123268D+02 -0.108727D+02
      6  -0.196501D+02 -0.146491D+02  0.127269D+02 -0.116833D+02  0.103527D+02
               176           177           178           179           180 
      1  -0.108897D+02  0.884199D+01 -0.588495D+01  0.496095D+01 -0.909492D+01
      2   0.594392D+01 -0.118462D+01 -0.256134D+01 -0.957105D-01 -0.322770D+01
      3   0.494577D+01 -0.765737D+01  0.844629D+01 -0.486524D+01  0.123226D+02
      4  -0.398119D+01  0.135753D+01 -0.262387D+01  0.128575D+01 -0.234263D+01
      5   0.560723D+01 -0.500945D+01  0.847070D+01 -0.384676D+01  0.775532D+01
      6  -0.139497D+02  0.145771D+02 -0.663822D+01  0.919549D+01 -0.862992D+01
               181           182           183           184           185 
      1   0.718259D+01 -0.655153D+00  0.454510D+01  0.523932D+00 -0.536144D+01
      2  -0.734988D+01  0.792492D-01  0.742725D+01  0.327734D-01  0.289061D+01
      3   0.167294D+00  0.575904D+00 -0.119724D+02 -0.556706D+00  0.247082D+01
      4   0.137376D+02  0.109821D+02 -0.862861D+01  0.105627D+02  0.994736D+01
      5  -0.240883D+02 -0.136875D+02  0.196119D+02 -0.134568D+02 -0.106239D+02
      6  -0.135879D+02 -0.117039D+02  0.111718D+02 -0.943290D+01 -0.130783D+02
               186           187           188           189           190 
      1   0.559618D+01  0.192163D+01  0.280758D+01 -0.422127D+01 -0.216495D+01
      2   0.693375D+00  0.482119D+01  0.117093D+01 -0.587383D+01 -0.163992D+01
      3  -0.628956D+01 -0.674281D+01 -0.397851D+01  0.100951D+02  0.380487D+01
      4  -0.701149D+01 -0.466048D+01 -0.408284D+01  0.553395D+01 -0.160589D+00
      5   0.942713D+01  0.136149D+02  0.666508D+01 -0.125984D+02 -0.813753D+00
      6   0.138475D+02  0.677044D+01  0.918507D+01 -0.830237D+01  0.719307D+00
               191           192           193           194           195 
      1  -0.564551D+00 -0.228119D+01 -0.106920D+01 -0.912716D+01 -0.149286D+02
      2  -0.383920D+00  0.318681D+00 -0.293653D+00 -0.410782D+01 -0.117128D+02
      3   0.948471D+00  0.196251D+01  0.136285D+01  0.132350D+02  0.266414D+02
      4   0.294898D+01  0.703318D-01  0.273515D+01 -0.568995D+01 -0.326715D+01
      5   0.154480D+01  0.689168D+01  0.385122D+01 -0.287581D+01 -0.488055D+01
      6   0.878018D+00  0.592133D+00  0.718281D+00  0.209127D+02  0.161209D+02
               196           197           198           199           200 
      1  -0.138543D+01 -0.732322D+01 -0.143382D+02  0.363918D+01  0.535667D+01
      2   0.236106D+00 -0.750460D+01 -0.133368D+02  0.214305D+00 -0.316051D+00
      3   0.114932D+01  0.148278D+02  0.276750D+02 -0.385349D+01 -0.504062D+01
      4  -0.115813D-01 -0.255764D+01 -0.307495D+01  0.655496D+01  0.108291D+02
      5   0.584907D+01 -0.271319D+01 -0.466533D+01  0.349520D+01  0.730043D+00
      6   0.242464D+00  0.132444D+02  0.126357D+02  0.693371D+00  0.649301D-01
               201           202           203           204           205 
      1   0.402422D+01  0.155733D+02  0.434832D+01 -0.151724D+01  0.831615D+01
      2  -0.155817D+01 -0.511544D+01  0.910269D+01  0.211455D+01 -0.330359D+01
      3  -0.246604D+01 -0.104578D+02 -0.134510D+02 -0.597305D+00 -0.501256D+01
      4   0.126073D+01  0.179253D+02  0.428961D+02  0.740106D+01  0.221575D+01
      5   0.331533D+01 -0.278976D+00  0.709869D+01  0.731204D+01  0.580643D+01
      6   0.457883D+00 -0.571927D+00 -0.400979D+00  0.355019D+01  0.531135D+00
               206           207           208           209           210 
      1  -0.112972D+00  0.167454D+01  0.650872D+02 -0.162972D+02  0.179154D+02
      2   0.102387D+01 -0.141907D+01 -0.323504D+02  0.747335D+01 -0.924327D+01
      3  -0.910894D+00 -0.255461D+00 -0.327369D+02  0.882388D+01 -0.867217D+01
      4   0.844111D+01  0.527626D+01 -0.173325D+02  0.122166D+02 -0.482120D+01
      5   0.539184D+01  0.933830D+00  0.190999D+02 -0.494402D+01  0.151127D+02
      6   0.329247D+01  0.134138D+01 -0.423359D+00  0.410879D+00 -0.296135D+00
               211           212           213           214           215 
      1  -0.319385D+02  0.126363D+02 -0.697811D+01  0.328719D+02 -0.685123D+01
      2   0.147505D+02 -0.359278D+01  0.344589D+01 -0.172084D+02  0.339154D+01
      3   0.171880D+02 -0.904353D+01  0.353222D+01 -0.156636D+02  0.345969D+01
      4   0.182358D+02 -0.117795D+02  0.733932D+01 -0.833639D+01  0.942685D+01
      5  -0.849234D+01  0.713960D+01 -0.868674D+01  0.227406D+02 -0.642495D+01
      6   0.138110D+01 -0.125103D+01  0.176270D+01 -0.130167D+01  0.189744D+01
               216           217           218           219           220 
      1   0.161003D+02  0.180976D+02 -0.194286D+01 -0.113953D+02 -0.535167D+01
      2  -0.111519D+02 -0.127951D+02  0.104301D+01  0.890583D+01  0.322465D+01
      3  -0.494835D+01 -0.530255D+01  0.899853D+00  0.248949D+01  0.212703D+01
      4  -0.596582D+01 -0.140625D+01  0.386176D+01 -0.143841D+01  0.664417D+01
      5   0.127148D+02 -0.153733D+02 -0.966378D+00  0.195645D+02  0.362037D+00
      6  -0.164563D+01 -0.693865D+00 -0.100377D+01  0.863402D+00 -0.226950D+01
               221           222           223           224           225 
      1   0.247396D+01 -0.141306D+00 -0.233375D+02 -0.174520D+01  0.136134D+02
      2  -0.166752D+01 -0.183035D+00  0.186245D+02  0.998852D+00 -0.222849D+02
      3  -0.806441D+00  0.324342D+00  0.471305D+01  0.746348D+00  0.867144D+01
      4   0.187086D+01 -0.528022D+01 -0.237192D+01 -0.712826D+01  0.179472D+00
      5  -0.481963D+01 -0.226023D+01  0.327480D+02 -0.306001D-01 -0.493217D+02
      6   0.181835D+00  0.431086D+01  0.948713D+00  0.428097D+01 -0.277339D+01
               226           227           228           229           230 
      1  -0.154513D+02 -0.185079D+02  0.119879D+00 -0.137170D+02 -0.181643D+02
      2   0.154996D+02  0.220990D+02  0.689166D+00  0.149133D+02  0.254533D+02
      3  -0.482494D-01 -0.359108D+01 -0.809045D+00 -0.119632D+01 -0.728902D+01
      4   0.908381D+01  0.123772D+01 -0.261219D+01  0.653332D+01 -0.332111D+00
      5   0.523921D+01  0.109975D+01 -0.471724D+00  0.216087D+01  0.266164D+01
      6  -0.266686D+00  0.412039D+01  0.401834D+01  0.180603D+01  0.194028D+01
               231           232           233           234           235 
      1  -0.263589D+00  0.235703D+01  0.672230D+00 -0.360599D+01  0.376702D+01
      2  -0.996131D+00 -0.209560D+00 -0.342689D+01  0.181974D+01 -0.230158D+01
      3   0.125972D+01 -0.214747D+01  0.275466D+01  0.178626D+01 -0.146544D+01
      4   0.743923D+00 -0.229656D+01  0.313978D+01 -0.298078D+00 -0.755764D+01
      5  -0.925555D+00  0.124415D+01 -0.148194D+01 -0.164443D+01 -0.829042D+01
      6   0.399604D+01  0.192542D+01  0.420454D+01  0.141599D+01  0.437092D+01
               236           237           238           239           240 
      1  -0.295475D+01 -0.398023D+01 -0.431729D+00 -0.236233D+01 -0.341656D+01
      2   0.409418D+00  0.505622D+01 -0.898474D+00  0.147620D+01  0.353203D+01
      3   0.254533D+01 -0.107599D+01  0.133020D+01  0.886127D+00 -0.115473D+00
      4   0.750102D+01  0.528507D+01  0.444889D+01 -0.281045D+01 -0.389448D+01
      5   0.346242D+01  0.124261D+02  0.451849D+00 -0.375004D+01 -0.267170D+01
      6  -0.215897D+01 -0.687931D+01 -0.154940D+01  0.423396D+01  0.828193D+01
               241           242           243           244           245 
      1  -0.397825D+01 -0.547367D+01 -0.895053D+01  0.246545D+02 -0.125352D+02
      2   0.596715D+01  0.430647D+01 -0.120626D+02  0.111281D+01 -0.847745D+01
      3  -0.198890D+01  0.116719D+01  0.210132D+02 -0.257674D+02  0.210126D+02
      4   0.855470D+01 -0.105812D+02 -0.139019D+02 -0.363481D+02  0.330636D+02
      5   0.159547D+02 -0.112668D+02 -0.348575D+02  0.554684D+01 -0.325560D+01
      6  -0.981667D+01  0.147975D+02  0.302428D+02 -0.516218D+01  0.357470D+01
               246           247           248           249           250 
      1   0.600495D+01 -0.844555D+01  0.279420D+01 -0.681749D+00  0.101141D+02
      2   0.744508D+00 -0.743368D+01  0.170096D+02 -0.454731D+01  0.108535D+01
      3  -0.674946D+01  0.158792D+02 -0.198038D+02  0.522906D+01 -0.111994D+02
      4  -0.837780D+01  0.251589D+02 -0.287314D+02  0.812994D+01 -0.164208D+02
      5   0.799601D+01 -0.241959D+01  0.510930D+01 -0.394282D+01  0.927171D+01
      6  -0.714641D+01  0.357176D+01 -0.519496D+01  0.549478D+01 -0.784657D+01
               251           252           253           254           255 
      1  -0.230354D+01  0.351744D+01 -0.999198D+01  0.163678D+02 -0.244338D+01
      2  -0.885816D+01  0.276898D+00  0.464732D+01 -0.418913D+01  0.171341D+01
      3   0.111617D+02 -0.379434D+01  0.534466D+01 -0.121786D+02  0.729967D+00
      4   0.180390D+02 -0.109269D+02  0.215654D+02 -0.193432D+02 -0.423491D+00
      5  -0.757086D+01  0.527350D+01 -0.260194D+01 -0.266526D+00 -0.185385D+02
      6   0.810126D+01 -0.528844D+01  0.609924D+00 -0.319142D+00  0.270549D+01
               256           257           258           259           260 
      1   0.304614D+00 -0.231976D+01 -0.230824D+01 -0.854002D+00 -0.765543D+00
      2  -0.266635D+01 -0.107623D+02  0.206782D+00  0.116359D+00  0.196884D+01
      3   0.236173D+01  0.130821D+02  0.210146D+01  0.737643D+00 -0.120329D+01
      4  -0.303577D+02 -0.445882D+02  0.245479D+01  0.236548D+01  0.418630D+01
      5   0.121481D+01  0.209702D+01 -0.128761D+02  0.725691D+01 -0.506248D+01
      6  -0.926964D+00  0.614193D+00 -0.917288D+01  0.868825D+00  0.441326D+01
               261           262           263           264           265 
      1  -0.118361D+01 -0.242815D+02 -0.386414D+02  0.379750D+01 -0.571341D+02
      2  -0.650455D+01  0.170813D+02  0.174541D+02 -0.238936D+01  0.272802D+02
      3   0.768815D+01  0.720017D+01  0.211873D+02 -0.140814D+01  0.298539D+02
      4  -0.489978D+01 -0.430458D+02  0.907732D+01  0.119064D+01 -0.606397D+01
      5   0.376750D+01  0.388219D+01  0.104399D+01  0.604777D+01  0.127982D+01
      6   0.202027D+01 -0.119668D+01 -0.508134D+00 -0.231598D+01 -0.116702D+00
               266           267           268           269           270 
      1  -0.383183D+01  0.212983D+01  0.594698D+01  0.210188D+01  0.429172D+01
      2   0.298441D+01 -0.361100D+01 -0.204008D+01 -0.414971D+01 -0.522883D+01
      3   0.847425D+00  0.148117D+01 -0.390691D+01  0.204784D+01  0.937112D+00
      4   0.209261D+02  0.342732D+01  0.176874D+01  0.429456D+01  0.370730D+02
      5   0.385776D+01  0.322339D+02 -0.944904D+01  0.392377D+02 -0.886480D+01
      6  -0.196416D+01 -0.108570D+02  0.592396D+01 -0.149991D+02  0.302583D+01
               271           272           273           274           275 
      1   0.167079D+02  0.104589D+02 -0.166953D+01  0.423321D+02 -0.109575D+02
      2  -0.559441D+01 -0.322781D+01  0.569708D+00 -0.133606D+02  0.333611D+02
      3  -0.111135D+02 -0.723105D+01  0.109982D+01 -0.289715D+02 -0.224035D+02
      4   0.170513D+02  0.224195D+02 -0.583072D+00  0.377770D+02  0.764655D+02
      5  -0.114985D+01 -0.552161D+00  0.106545D+02 -0.191981D+00 -0.301917D+01
      6  -0.405261D+00  0.182968D+00  0.397220D+00  0.103234D+01 -0.328107D+00
               276           277           278           279           280 
      1   0.203860D+01 -0.345738D+01  0.109606D+01 -0.875801D-01  0.828670D+01
      2  -0.109208D+01  0.175367D+01 -0.163034D+01  0.816703D+00 -0.496484D+01
      3  -0.946519D+00  0.170371D+01  0.534285D+00 -0.729123D+00 -0.332186D+01
      4  -0.311854D+01 -0.154591D+01 -0.443818D+01  0.170613D+02 -0.203329D+01
      5   0.179583D+02  0.133075D+02  0.159500D+02 -0.454205D+01  0.700893D+01
      6   0.151910D+02  0.366970D+01  0.111934D+02 -0.211343D+01 -0.291987D+01
               281           282           283           284           285 
      1  -0.248004D+01  0.755641D+01 -0.878877D+01  0.686987D+00  0.177372D+01
      2   0.138216D+01 -0.350173D+01  0.316697D+01  0.450654D+01 -0.228283D+01
      3   0.109788D+01 -0.405467D+01  0.562180D+01 -0.519353D+01  0.509107D+00
      4   0.241434D+01 -0.322168D+01  0.150870D+02 -0.289126D+02  0.156159D+02
      5  -0.266150D+01  0.458437D+01 -0.671796D+01  0.160765D+02 -0.220857D+02
      6   0.169815D+00 -0.262745D+00  0.332776D+01 -0.948025D+01  0.109300D+02
               286           287           288           289           290 
      1   0.186966D+02 -0.629922D+00 -0.176363D+01  0.100455D+03  0.201065D+02
      2  -0.107616D+02 -0.369151D+00 -0.509437D+01 -0.534373D+02 -0.116788D+02
      3  -0.793494D+01  0.999073D+00  0.685800D+01 -0.470181D+02 -0.842771D+01
      4  -0.131385D+02  0.220820D+02 -0.238551D+02  0.147816D+02  0.144287D+02
      5   0.181955D+02 -0.253850D+02  0.419048D+02 -0.153613D+01 -0.312224D+00
      6  -0.569669D+01  0.128267D+02 -0.149728D+02  0.881993D+00  0.359663D+00
               291           292           293           294           295 
      1  -0.243919D+01  0.429962D+02  0.159365D+02 -0.860538D+00 -0.531641D+01
      2   0.122465D+01 -0.228356D+02 -0.762921D+01  0.660345D+00  0.281082D+01
      3   0.121454D+01 -0.201605D+02 -0.830730D+01  0.200193D+00  0.250559D+01
      4  -0.354568D+00  0.179739D+02  0.133185D+02 -0.986609D+00 -0.442817D+00
      5   0.132601D+02 -0.497787D+00 -0.905355D+00  0.409547D+01  0.147357D+02
      6  -0.778036D+00  0.428688D+00  0.410362D+00  0.185450D+01 -0.122342D+00
               296           297           298           299           300 
      1  -0.819841D+00  0.100119D+02  0.694074D+01 -0.333416D+01 -0.685109D+01
      2   0.817807D+00 -0.606931D+01 -0.320664D+01  0.194297D+01  0.309527D+01
      3   0.203376D-02 -0.394260D+01 -0.373411D+01  0.139118D+01  0.375582D+01
      4  -0.146294D+01 -0.327593D+00 -0.217619D+01  0.190973D+01  0.239826D+01
      5   0.460320D-01 -0.791262D+00 -0.586923D+01  0.168732D+01  0.228942D+01
      6   0.267931D+01 -0.180846D+00  0.299164D+01  0.314418D+00  0.263393D+00
               301           302           303           304           305 
      1  -0.109209D+02 -0.599704D+00 -0.307811D+01 -0.171056D+02 -0.579913D+00
      2   0.334520D+01  0.943000D+01  0.518764D+01  0.831194D+01  0.388254D+01
      3   0.757571D+01 -0.883029D+01 -0.210954D+01  0.879370D+01 -0.330263D+01
      4   0.168742D+02 -0.371543D+02 -0.169735D+02  0.118591D+02 -0.242011D+02
      5   0.521135D+01 -0.179046D+02 -0.219448D+02  0.136108D+02 -0.245493D+02
      6  -0.309051D+01  0.104989D+02  0.103183D+02 -0.487792D+01  0.124129D+02
               306 
      1  -0.224380D+01
      2  -0.461520D+00
      3   0.270532D+01
      4  -0.229200D+02
      5  -0.299248D+02
      6   0.120210D+02
 Leave Link  716 at Thu Jul 22 22:35:37 2021, MaxMem=  5637144576 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.167588D+03 -0.246442D+01 -0.728876D+00
      2  -0.246442D+01  0.140167D+03 -0.428191D+00
      3  -0.728876D+00 -0.428191D+00  0.134287D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.254952D+00  0.669064D+00  0.811422D+01
      2  -0.117331D+00 -0.462248D+01 -0.500120D+02
      3  -0.324649D+01  0.229065D+02  0.365767D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.343409D+01  0.219608D+01 -0.754995D+00
      2   0.696150D+01  0.647083D+01 -0.115225D+02
      3  -0.352741D+01 -0.866691D+01  0.122775D+02
      4  -0.128658D+02 -0.516973D+02 -0.134509D+02
      5   0.687618D+01 -0.124043D+02 -0.104534D+03
      6  -0.527942D+01  0.141884D+01 -0.335999D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   102 ND12= 1 LenFil=    3675:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.287797D+01  0.315735D+01  0.356211D+01  0.235959D+01  0.800066D+00
      2   0.315735D+01  0.883304D+00  0.187594D+00  0.800066D+00 -0.320681D+01
      3   0.356211D+01  0.187594D+00 -0.373346D+01  0.691013D+00  0.901724D-01
                 6             7             8             9            10 
      1   0.691013D+00  0.186851D+01  0.522808D+00 -0.314704D+01 -0.265864D+01
      2   0.901724D-01  0.522808D+00 -0.290627D-01  0.293700D+01  0.427995D+01
      3   0.252725D+01 -0.314704D+01  0.293700D+01  0.571303D+00 -0.134705D+01
                11            12            13            14            15 
      1   0.427995D+01 -0.134705D+01  0.344290D+01  0.366944D-01 -0.147738D+01
      2  -0.942523D-01 -0.144853D+01  0.366944D-01  0.376287D+00 -0.329574D+01
      3  -0.144853D+01  0.210462D+01 -0.147738D+01 -0.329574D+01 -0.316124D+01
                16            17            18            19            20 
      1  -0.749910D+00 -0.172050D+01  0.139853D+01 -0.104620D+01 -0.372799D+01
      2  -0.172050D+01 -0.284822D+01 -0.148482D+01 -0.372799D+01  0.471604D+00
      3   0.139853D+01 -0.148482D+01  0.202613D+01  0.515125D+00 -0.127926D+01
                21            22            23            24            25 
      1   0.515125D+00 -0.417094D+01  0.495178D+00 -0.162488D+01 -0.676947D+00
      2  -0.127926D+01  0.495178D+00  0.373533D+01  0.239660D+01 -0.121267D+01
      3   0.491355D+01 -0.162488D+01  0.239660D+01 -0.238160D+01  0.625741D+01
                26            27            28            29            30 
      1  -0.121267D+01  0.625741D+01  0.756694D+00  0.185140D+01  0.161943D+01
      2   0.734496D+00 -0.367428D+01  0.185140D+01 -0.225065D+00  0.112106D+00
      3  -0.367428D+01 -0.135819D+01  0.161943D+01  0.112106D+00 -0.350335D+01
                31            32            33            34            35 
      1   0.288086D+01 -0.993177D+00 -0.246665D+00 -0.222695D+00  0.411926D+00
      2  -0.993177D+00 -0.513135D+01  0.124941D+01  0.411926D+00  0.406933D+00
      3  -0.246665D+00  0.124941D+01  0.241365D+01 -0.392410D+01  0.183179D+01
                36            37            38            39            40 
      1  -0.392410D+01 -0.573416D+01  0.153045D+01 -0.144228D+01  0.236815D+01
      2   0.183179D+01  0.153045D+01  0.935771D+00 -0.125299D+01 -0.271612D+00
      3  -0.400102D+00 -0.144228D+01 -0.125299D+01  0.346135D+01 -0.114423D+01
                41            42            43            44            45 
      1  -0.271612D+00 -0.114423D+01  0.806975D+00 -0.788280D+00  0.132085D+01
      2  -0.895398D+00 -0.243459D+01 -0.788280D+00 -0.162398D+01 -0.177591D+01
      3  -0.243459D+01 -0.283355D+01  0.132085D+01 -0.177591D+01  0.165143D+01
                46            47            48            49            50 
      1   0.260804D+01 -0.486619D+01  0.325361D+01 -0.675763D+01  0.112121D+01
      2  -0.486619D+01  0.141192D+01  0.541713D+00  0.112121D+01  0.403982D+00
      3   0.325361D+01  0.541713D+00  0.777329D+00  0.464572D+00  0.396245D+01
                51            52            53            54            55 
      1   0.464572D+00  0.391874D+01 -0.260256D+00  0.117173D-01 -0.578097D+01
      2   0.396245D+01 -0.260256D+00  0.469678D+01  0.188729D+01 -0.278396D+01
      3   0.144794D+01  0.117173D-01  0.188729D+01 -0.414717D+01 -0.280047D+01
                56            57            58            59            60 
      1  -0.278396D+01 -0.280047D+01 -0.220676D+01 -0.200721D+01 -0.118487D+01
      2  -0.258170D+01 -0.163602D+01 -0.200721D+01 -0.202868D+01 -0.129546D+01
      3  -0.163602D+01 -0.240771D+01 -0.118487D+01 -0.129546D+01 -0.148176D+01
                61            62            63            64            65 
      1  -0.164623D+01 -0.100944D+01 -0.150005D+01  0.195666D+01 -0.125781D+01
      2  -0.100944D+01 -0.917805D+00 -0.134170D+01 -0.125781D+01  0.143794D+01
      3  -0.150005D+01 -0.134170D+01 -0.197879D+01 -0.252630D+01  0.141630D+01
                66            67            68            69            70 
      1  -0.252630D+01 -0.647527D+00  0.649354D+00  0.376772D+00 -0.176760D+01
      2   0.141630D+01  0.649354D+00 -0.105900D+01 -0.143748D+01  0.645016D+00
      3   0.394526D+01  0.376772D+00 -0.143748D+01 -0.164487D+01  0.222078D+01
                71            72            73            74            75 
      1   0.645016D+00  0.222078D+01  0.551951D+01 -0.296232D+01  0.290757D+00
      2  -0.171953D+01 -0.241732D+01 -0.296232D+01  0.354117D+01  0.273339D+00
      3  -0.241732D+01 -0.639848D+01  0.290757D+00  0.273339D+00  0.838654D+00
                76            77            78            79            80 
      1  -0.213707D+01  0.219781D+01  0.216491D+00  0.122501D+00  0.211218D+00
      2   0.219781D+01 -0.326908D+01  0.244876D+00  0.211218D+00  0.253257D+00
      3   0.216491D+00  0.244876D+00 -0.317960D+00  0.615938D+00 -0.584742D+00
                81            82            83            84            85 
      1   0.615938D+00 -0.249165D+01 -0.238827D+01  0.918335D+00 -0.207839D+01
      2  -0.584742D+00 -0.238827D+01 -0.311305D+01  0.997648D+00 -0.219194D+01
      3  -0.139497D+00  0.918335D+00  0.997648D+00 -0.142081D+01  0.664423D+00
                86            87            88            89            90 
      1  -0.219194D+01  0.664423D+00  0.100724D+01  0.109468D+01 -0.103566D+01
      2  -0.520055D+01  0.170372D+01  0.109468D+01  0.237721D+01 -0.129642D+01
      3   0.170372D+01 -0.106119D+01 -0.103566D+01 -0.129642D+01  0.124891D+01
                91            92            93            94            95 
      1  -0.151457D+01  0.601991D+01 -0.237950D+01  0.731377D+01 -0.558365D+00
      2   0.601991D+01 -0.173128D+01  0.102584D+01 -0.558365D+00 -0.388449D+01
      3  -0.237950D+01  0.102584D+01 -0.510180D+01  0.122399D+01 -0.379695D+01
                96            97            98            99           100 
      1   0.122399D+01 -0.166541D+01  0.753639D+00 -0.430981D+01 -0.335350D+01
      2  -0.379695D+01  0.753639D+00 -0.313890D+01  0.106908D+01  0.187138D+01
      3   0.167260D+01 -0.430981D+01  0.106908D+01  0.484762D+01 -0.288218D+01
               101           102           103           104           105 
      1   0.187138D+01 -0.288218D+01  0.205421D+01 -0.146279D+01  0.140305D+01
      2  -0.140875D+01  0.138429D+01 -0.146279D+01  0.194750D+01 -0.236130D+01
      3   0.138429D+01 -0.349349D+01  0.140305D+01 -0.236130D+01  0.263682D+01
               106           107           108           109           110 
      1  -0.211338D+01  0.926923D+00 -0.313315D+01  0.363582D+00  0.906774D+00
      2   0.926923D+00 -0.175317D+01  0.230611D+01  0.906774D+00  0.427586D+00
      3  -0.313315D+01  0.230611D+01 -0.575574D+01 -0.270510D+00 -0.156591D+00
               111           112           113           114           115 
      1  -0.270510D+00  0.149448D+01  0.930565D+00 -0.253138D+00  0.235719D-01
      2  -0.156591D+00  0.930565D+00  0.800286D+01 -0.214639D+01 -0.171822D+00
      3   0.285997D+00 -0.253138D+00 -0.214639D+01  0.173027D+01  0.421374D+00
               116           117           118           119           120 
      1  -0.171822D+00  0.421374D+00  0.347006D+01 -0.490524D+00 -0.234478D+01
      2  -0.110272D+01  0.112366D+01 -0.490524D+00  0.534145D+00  0.121188D+00
      3   0.112366D+01 -0.835274D+00 -0.234478D+01  0.121188D+00  0.290222D+01
               121           122           123           124           125 
      1  -0.179304D+01  0.577187D+00  0.883281D+00 -0.287756D+01  0.504473D-01
      2   0.577187D+00 -0.514481D-01 -0.983901D+00  0.504473D-01 -0.920015D+00
      3   0.883281D+00 -0.983901D+00 -0.172926D+01  0.270244D+01 -0.430585D+00
               126           127           128           129           130 
      1   0.270244D+01  0.212746D+01  0.825187D+00  0.102153D+01  0.252427D+01
      2  -0.430585D+00  0.825187D+00  0.195067D+00  0.339536D+00  0.855300D-01
      3  -0.471658D+01  0.102153D+01  0.339536D+00  0.275464D+00  0.441956D+00
               131           132           133           134           135 
      1   0.855300D-01  0.441956D+00  0.142096D+01  0.436541D+00  0.192789D+00
      2   0.316019D+01  0.178193D+01  0.436541D+00  0.185668D+01  0.167354D+01
      3   0.178193D+01  0.219494D+01  0.192789D+00  0.167354D+01  0.240767D+01
               136           137           138           139           140 
      1  -0.549638D+00 -0.234186D+01  0.582669D+00 -0.571527D+01  0.268903D+00
      2  -0.234186D+01 -0.135968D+01 -0.163895D+00  0.268903D+00 -0.181415D+01
      3   0.582669D+00 -0.163895D+00 -0.190974D+01  0.619300D-01  0.600068D+00
               141           142           143           144           145 
      1   0.619300D-01  0.565862D+00 -0.184064D+00 -0.526161D+00 -0.227781D+00
      2   0.600068D+00 -0.184064D+00  0.141821D+00 -0.644992D+00  0.466904D+01
      3  -0.278780D+00 -0.526161D+00 -0.644992D+00  0.396142D+00 -0.357753D+01
               146           147           148           149           150 
      1   0.466904D+01 -0.357753D+01  0.474654D+01 -0.307322D+00 -0.248887D+00
      2  -0.297336D+00 -0.182615D+00 -0.307322D+00 -0.125534D+01 -0.437927D+01
      3  -0.182615D+00 -0.275033D+00 -0.248887D+00 -0.437927D+01 -0.180190D+01
               151           152           153           154           155 
      1  -0.298535D+01  0.280633D-02  0.242510D-01  0.200490D-01 -0.406917D+01
      2   0.280633D-02 -0.334901D+01 -0.172922D+01 -0.406917D+01  0.441823D+00
      3   0.242510D-01 -0.172922D+01  0.282233D+01  0.211402D+01 -0.721565D+00
               156           157           158           159           160 
      1   0.211402D+01 -0.499456D+01  0.118063D+01 -0.871217D+00  0.242479D+01
      2  -0.721565D+00  0.118063D+01  0.441018D+01  0.230385D+01 -0.851170D+00
      3   0.300636D+01 -0.871217D+00  0.230385D+01 -0.820000D+00  0.433386D+01
               161           162           163           164           165 
      1  -0.851170D+00  0.433386D+01 -0.187711D+00 -0.534950D+01  0.158948D+01
      2   0.239220D+01 -0.638943D+00 -0.534950D+01  0.417743D+00 -0.991680D+00
      3  -0.638943D+00 -0.468477D+01  0.158948D+01 -0.991680D+00  0.244099D+01
               166           167           168           169           170 
      1  -0.482343D+01 -0.770721D-01 -0.111987D+01  0.195728D+01 -0.115725D+01
      2  -0.770721D-01  0.236125D+01  0.288694D+01 -0.115725D+01  0.310063D+01
      3  -0.111987D+01  0.288694D+01 -0.345605D+00  0.303861D+01 -0.146131D+01
               171           172           173           174           175 
      1   0.303861D+01  0.459660D+01 -0.240663D+01  0.251250D+01 -0.249871D+01
      2  -0.146131D+01 -0.240663D+01  0.202401D+01 -0.148810D+01  0.173556D+01
      3  -0.544972D+01  0.251250D+01 -0.148810D+01  0.307691D+01 -0.119432D+01
               176           177           178           179           180 
      1   0.173556D+01 -0.119432D+01  0.129015D+01 -0.723642D+00  0.164504D+01
      2  -0.229265D+01  0.205769D+01 -0.723642D+00  0.104967D+01 -0.100980D+01
      3   0.205769D+01 -0.184045D+01  0.164504D+01 -0.100980D+01  0.176150D+01
               181           182           183           184           185 
      1  -0.419358D+01 -0.227541D+01  0.237693D+01 -0.235947D+01 -0.161007D+01
      2  -0.227541D+01 -0.188663D+01  0.142275D+01 -0.161007D+01 -0.218185D+01
      3   0.237693D+01  0.142275D+01 -0.304375D+01  0.114469D+01  0.195161D+01
               186           187           188           189           190 
      1   0.114469D+01  0.153920D+01  0.770805D+00 -0.166562D+01  0.172274D+00
      2   0.195161D+01  0.770805D+00  0.106869D+01 -0.974710D+00  0.218518D+00
      3  -0.192593D+01 -0.166562D+01 -0.974710D+00  0.195333D+01  0.105739D+01
               191           192           193           194           195 
      1   0.218518D+00  0.105739D+01  0.691941D+00  0.757418D-01  0.227757D+00
      2   0.121927D+00  0.144098D+00  0.757418D-01  0.392564D+01  0.278911D+01
      3   0.144098D+00  0.250379D+00  0.227757D+00  0.278911D+01  0.455463D+01
               196           197           198           199           200 
      1   0.779916D+00  0.543555D-01  0.716905D-01 -0.378740D+00 -0.959315D+00
      2   0.543555D-01  0.198953D+01  0.226072D+01 -0.959315D+00 -0.882766D+00
      3   0.716905D-01  0.226072D+01  0.400414D+01 -0.571319D+00 -0.143415D-01
               201           202           203           204           205 
      1  -0.571319D+00 -0.235364D+01 -0.175328D+01  0.643722D-01 -0.107593D+01
      2  -0.143415D-01 -0.175328D+01 -0.611870D+01 -0.111075D+01 -0.141712D+00
      3  -0.297399D+00  0.643722D-01 -0.111075D+01 -0.106163D+01 -0.565555D+00
               206           207           208           209           210 
      1  -0.141712D+00 -0.565555D+00 -0.735580D+01  0.196501D+01 -0.209660D+01
      2  -0.120952D+01 -0.864793D+00  0.196501D+01 -0.116708D+01  0.532244D+00
      3  -0.864793D+00 -0.225686D+00 -0.209660D+01  0.532244D+00 -0.151731D+01
               211           212           213           214           215 
      1   0.418490D+01 -0.190225D+01  0.946893D+00 -0.414804D+01  0.956942D+00
      2  -0.190225D+01  0.125431D+01 -0.898032D+00  0.956942D+00 -0.111414D+01
      3   0.946893D+00 -0.898032D+00  0.995937D+00 -0.246563D+01  0.726046D+00
               216           217           218           219           220 
      1  -0.246563D+01 -0.235740D+01  0.224494D+00  0.172769D+01  0.773191D+00
      2   0.726046D+00  0.224494D+00 -0.337101D+00  0.128050D+00 -0.711492D+00
      3  -0.133545D+01  0.172769D+01  0.128050D+00 -0.190150D+01 -0.700962D-01
               221           222           223           224           225 
      1  -0.711492D+00 -0.700962D-01  0.378439D+01  0.250452D+00 -0.366526D+01
      2  -0.279240D+00  0.662815D+00  0.250452D+00  0.837781D+00 -0.572866D-01
      3   0.662815D+00  0.290762D+00 -0.366526D+01 -0.572866D-01  0.660789D+01
               226           227           228           229           230 
      1   0.423932D+01  0.190976D+01 -0.499206D+00  0.203818D+01  0.184127D+01
      2   0.190976D+01  0.310188D+01  0.387868D+00  0.184127D+01  0.341594D+01
      3  -0.499206D+00  0.387868D+00  0.684532D+00  0.921526D-01 -0.154590D+00
               231           232           233           234           235 
      1   0.921526D-01 -0.601370D+00  0.163274D+00  0.357965D+00 -0.116236D+01
      2  -0.154590D+00  0.163274D+00 -0.630825D+00  0.614935D+00  0.101216D+01
      3   0.556451D+00  0.357965D+00  0.614935D+00  0.327154D+00  0.121030D+01
               236           237           238           239           240 
      1   0.101216D+01  0.121030D+01  0.361930D+00 -0.309945D+00 -0.435714D-01
      2  -0.636606D+00 -0.418342D+00 -0.309945D+00  0.392524D+00  0.844978D+00
      3  -0.418342D+00 -0.158931D+01 -0.435714D-01  0.844978D+00  0.526830D+00
               241           242           243           244           245 
      1   0.163662D+01 -0.874695D+00 -0.225207D+01 -0.493245D+01  0.380338D+01
      2  -0.874695D+00  0.216607D+01  0.230457D+01  0.380338D+01 -0.370812D+01
      3  -0.225207D+01  0.230457D+01  0.752257D+01 -0.119279D+01  0.776140D+00
               246           247           248           249           250 
      1  -0.119279D+01  0.269018D+01 -0.264190D+01  0.700723D+00 -0.232688D+01
      2   0.776140D+00 -0.264190D+01  0.383563D+01 -0.117390D+01  0.173651D+01
      3  -0.130495D+01  0.700723D+00 -0.117390D+01  0.673745D+00 -0.151881D+01
               251           252           253           254           255 
      1   0.173651D+01 -0.151881D+01  0.477449D+01  0.259823D+01 -0.445279D+00
      2  -0.266991D+01  0.134675D+01  0.259823D+01  0.713369D+00 -0.962578D-01
      3   0.134675D+01 -0.806704D+00 -0.445279D+00 -0.962578D-01  0.852276D+00
               256           257           258           259           260 
      1  -0.103657D+01 -0.221280D+01 -0.182990D+00 -0.212695D+00  0.206405D+00
      2  -0.221280D+01 -0.526436D+01  0.321834D+00  0.206405D+00  0.521927D+00
      3  -0.182990D+00  0.321834D+00 -0.537679D+00  0.100451D+01 -0.807761D+00
               261           262           263           264           265 
      1   0.100451D+01 -0.199776D+01 -0.460379D+01  0.379625D+00 -0.614584D+01
      2  -0.807761D+00 -0.460379D+01  0.316398D+00  0.190688D+00 -0.129564D+01
      3   0.436941D+00  0.379625D+00  0.190688D+00  0.363293D+00  0.185378D+00
               266           267           268           269           270 
      1  -0.129564D+01  0.185378D+00  0.695502D+00  0.248657D+00 -0.120034D+01
      2   0.317982D+01  0.412764D+00  0.248657D+00  0.554014D+00  0.467506D+01
      3   0.412764D+00  0.397360D+01 -0.120034D+01  0.467506D+01 -0.107495D+01
               271           272           273           274           275 
      1   0.124660D+01  0.207689D+01 -0.255877D+00  0.878814D+01  0.348140D+01
      2   0.207689D+01  0.129153D+01  0.156876D-01  0.348140D+01  0.104615D+02
      3  -0.255877D+00  0.156876D-01  0.689516D-01  0.143112D+00 -0.490629D+00
               276           277           278           279           280 
      1   0.143112D+00 -0.535366D+00 -0.138494D+00  0.112558D+01  0.104028D+01
      2  -0.490629D+00 -0.138494D+00 -0.652089D+00  0.243622D+01 -0.120118D+00
      3   0.189480D+01  0.112558D+01  0.243622D+01 -0.637677D+00  0.834905D+00
               281           282           283           284           285 
      1  -0.120118D+00  0.834905D+00 -0.160739D+01  0.151084D+01 -0.630032D+00
      2  -0.407124D-01 -0.101101D+00  0.151084D+01 -0.358926D+01  0.192623D+01
      3  -0.101101D+00  0.163250D+00 -0.630032D+00  0.192623D+01 -0.260626D+01
               286           287           288           289           290 
      1   0.273914D+01 -0.123165D+01  0.166675D+01  0.932699D+01  0.186403D+01
      2  -0.123165D+01  0.270236D+01 -0.299139D+01  0.186403D+01  0.138505D+01
      3   0.166675D+01 -0.299139D+01  0.501423D+01 -0.223433D+00 -0.531457D-01
               291           292           293           294           295 
      1  -0.223433D+00  0.449785D+01  0.166962D+01 -0.700779D-01 -0.544791D+00
      2  -0.531457D-01  0.166962D+01  0.131118D+01 -0.115572D+00 -0.562308D-01
      3   0.110089D+01 -0.700779D-01 -0.115572D+00  0.333520D+00  0.126570D+01
               296           297           298           299           300 
      1  -0.562308D-01  0.126570D+01  0.826342D+00 -0.181056D+00 -0.711328D+00
      2  -0.170842D+00 -0.110151D+00 -0.181056D+00 -0.182118D+00  0.735669D-02
      3  -0.110151D+00 -0.596908D-01 -0.711328D+00  0.735669D-02 -0.126515D-01
               301           302           303           304           305 
      1  -0.188481D+01  0.164930D+01  0.429671D+00 -0.243120D+01  0.107848D+01
      2   0.164930D+01 -0.465178D+01 -0.211250D+01  0.107848D+01 -0.300032D+01
      3   0.429671D+00 -0.211250D+01 -0.259409D+01  0.123347D+01 -0.289663D+01
               306 
      1   0.123347D+01
      2  -0.289663D+01
      3  -0.359483D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.322239D+01 -0.141835D+01 -0.682347D+01 -0.170960D+01  0.102056D+02
      2   0.242084D+01  0.833213D+01  0.172934D+02  0.601670D+01  0.179601D+01
      3  -0.310629D+00 -0.631935D+01 -0.595031D+01 -0.182190D+01 -0.795825D+01
                 6             7             8             9            10 
      1   0.321855D+01 -0.614173D+01  0.804894D+01 -0.872027D+01 -0.945651D+00
      2  -0.163985D+01  0.815850D+01 -0.356804D+01 -0.959175D+01  0.180408D+01
      3   0.108085D+00 -0.267699D+01 -0.830670D+00  0.964512D+01  0.863372D+01
                11            12            13            14            15 
      1  -0.494365D+01  0.563899D+01 -0.507940D+01 -0.830976D+01 -0.104071D+02
      2  -0.745423D+00  0.254935D+01 -0.282588D+00  0.203606D+01  0.251664D+01
      3  -0.138651D+02  0.127820D+01 -0.835904D+01  0.246053D+00  0.298329D+01
                16            17            18            19            20 
      1   0.385863D+01 -0.276121D+01  0.722043D+01  0.685508D+01  0.345207D+00
      2  -0.183171D+01  0.132697D+01 -0.496145D+00 -0.671325D+01 -0.367329D+01
      3  -0.141228D+00  0.246488D+01 -0.535498D+01 -0.800447D+01 -0.414046D+01
                21            22            23            24            25 
      1   0.459077D+00  0.197295D+01 -0.101091D+02 -0.547882D+01 -0.121307D+00
      2  -0.453442D+01 -0.418316D+01 -0.318382D+01  0.138889D+01 -0.141575D+02
      3  -0.285346D+01  0.222763D+01  0.638045D+01  0.186001D+01 -0.223153D+01
                26            27            28            29            30 
      1   0.124500D+01  0.705588D+01 -0.810214D+01 -0.228893D-01  0.446185D+01
      2   0.348733D+01  0.129867D+02  0.424803D+01  0.373486D+01  0.467493D+01
      3   0.772552D+00 -0.319719D+01  0.293075D+01  0.195625D+01  0.450089D+01
                31            32            33            34            35 
      1  -0.451718D+00  0.103864D+02 -0.821923D+01  0.607318D+01 -0.114969D+01
      2   0.735843D+01 -0.156811D+01 -0.555843D+00 -0.856757D+00 -0.119033D+00
      3   0.853956D+01  0.302306D+01 -0.152826D+01  0.435054D+01 -0.566995D+00
                36            37            38            39            40 
      1  -0.146395D+01  0.554689D+00  0.103844D+01 -0.200275D+01 -0.112846D+01
      2  -0.723883D+01  0.516184D+01 -0.234477D+01  0.103407D+01 -0.422316D+01
      3  -0.411876D+01 -0.324305D+01  0.435661D+01  0.790907D+00  0.694961D+01
                41            42            43            44            45 
      1   0.117927D+01 -0.196569D+01 -0.505129D+01  0.131935D+01 -0.451972D+01
      2  -0.150666D+01 -0.204999D+01 -0.449527D+01 -0.222057D+01  0.195855D+01
      3   0.102671D+01  0.151522D+01 -0.991875D+00 -0.809310D-01  0.120858D+01
                46            47            48            49            50 
      1  -0.276579D+01  0.725726D+00 -0.419241D+00  0.213031D+01  0.418363D+01
      2  -0.236259D+01  0.442553D+01 -0.350898D+00  0.418080D+01 -0.352504D+01
      3  -0.296380D+01  0.126052D+01 -0.200416D+01  0.821565D+01 -0.168669D+01
                51            52            53            54            55 
      1   0.236577D+01  0.324046D+00  0.101237D+02  0.890037D+00  0.257696D+01
      2   0.485650D-01 -0.952139D+01 -0.331808D+00  0.215088D+01 -0.104163D+02
      3   0.180240D+01 -0.223169D+01  0.424926D+01  0.142662D+01  0.698308D+01
                56            57            58            59            60 
      1   0.465787D+01 -0.156248D+01  0.284269D+01  0.236130D+01 -0.124620D+01
      2  -0.324753D+01 -0.401880D-01 -0.376556D+01 -0.269400D+01  0.292264D+00
      3  -0.187029D+01  0.154292D+01  0.226296D+01 -0.748058D+00 -0.375314D-01
                61            62            63            64            65 
      1  -0.308331D+00  0.126705D+01  0.289658D+00 -0.877121D+00 -0.279670D+01
      2  -0.238009D+01 -0.157717D+00  0.560103D+00  0.940832D+01 -0.448675D+01
      3   0.126594D+01 -0.491346D+00  0.119861D+00 -0.612573D+01  0.205813D+01
                66            67            68            69            70 
      1   0.424860D+01 -0.637356D+00 -0.126596D+00 -0.122937D+01  0.238399D+01
      2  -0.935059D+01 -0.243715D+01  0.359282D+01  0.281813D+01 -0.945327D+01
      3   0.580751D+01  0.322113D+01 -0.197068D+01 -0.308065D+01  0.457610D+01
                71            72            73            74            75 
      1   0.296448D+01 -0.485311D+01  0.129262D+01  0.460149D+00  0.370698D+01
      2   0.446041D+01  0.127203D+02  0.460279D+00 -0.177088D+00  0.114312D+01
      3  -0.250702D+01 -0.718458D+01 -0.192243D+02  0.719238D+01 -0.887173D+00
                76            77            78            79            80 
      1  -0.142308D+00  0.122961D+01 -0.207462D+01  0.127979D+01  0.310262D+00
      2  -0.369384D+00  0.166639D+00 -0.108488D+01 -0.184180D+01  0.308216D+00
      3   0.838985D+01 -0.665652D+01 -0.296393D+00  0.294702D-01 -0.614160D+00
                81            82            83            84            85 
      1  -0.436905D+00  0.202388D+01  0.209303D+01 -0.511943D+01  0.190483D+01
      2  -0.255445D+00 -0.187206D+00 -0.528178D+00  0.230738D+01  0.234283D+00
      3  -0.170545D+01  0.657188D+01  0.115410D+01 -0.177818D+01  0.480471D+01
                86            87            88            89            90 
      1   0.388585D+01 -0.469898D+01 -0.231046D+01 -0.957996D+00  0.429081D+01
      2  -0.845703D+00  0.182133D+01 -0.601546D+00  0.104547D+01 -0.121276D+01
      3  -0.510866D-01 -0.678244D+00 -0.269529D+01 -0.103786D+00  0.138316D+01
                91            92            93            94            95 
      1   0.243765D+01 -0.450834D+00  0.184780D+01  0.975682D-01  0.123845D+01
      2   0.361994D+01 -0.277999D+01  0.141609D+02 -0.363820D+01  0.780313D+01
      3   0.155341D+02 -0.354159D+01  0.933229D+00  0.843848D+01 -0.106648D+02
                96            97            98            99           100 
      1  -0.505113D+01  0.169198D+01  0.188017D+01 -0.464789D+01 -0.218700D+01
      2  -0.223081D+01  0.582299D+01 -0.165458D+01 -0.128983D+02 -0.261872D+01
      3  -0.773907D+01  0.122482D+01 -0.672292D+01 -0.429282D+00  0.700687D+00
               101           102           103           104           105 
      1   0.331118D+01  0.132125D+00  0.170638D+01 -0.320084D+01  0.105476D+01
      2   0.117495D+01  0.286927D+01  0.254832D+01  0.122413D+01 -0.255767D+01
      3  -0.312034D+01  0.857237D+00  0.369812D+00  0.286781D+01 -0.307133D+01
               106           107           108           109           110 
      1  -0.527003D+00  0.516992D+01 -0.975998D+00 -0.167354D+01 -0.621102D+00
      2  -0.204192D+01 -0.141179D+01  0.404413D+01 -0.189952D+00  0.136364D+01
      3  -0.579795D+00 -0.323464D+01  0.213292D+01  0.545866D+00  0.456374D+00
               111           112           113           114           115 
      1  -0.309191D+00 -0.112298D+01 -0.129797D+02 -0.141603D+01  0.331488D-01
      2   0.380256D-01  0.300582D+01  0.280077D+01  0.446918D+00 -0.165100D+01
      3  -0.231217D+00  0.575889D+01 -0.162853D+01 -0.270745D+00 -0.420622D+00
               116           117           118           119           120 
      1   0.971554D+00 -0.103736D+01  0.401405D+01 -0.229210D+01 -0.347946D+01
      2  -0.150730D+00  0.120444D+01  0.763601D+01 -0.853470D+00 -0.982537D+00
      3  -0.453629D+00  0.392537D+00  0.424249D+01 -0.249055D+01 -0.350594D+01
               121           122           123           124           125 
      1  -0.181940D+01  0.189871D+01  0.291247D+01 -0.272679D+01  0.449401D+01
      2  -0.459691D+01  0.100056D+01  0.192340D+00 -0.637488D+01 -0.287454D+00
      3  -0.841985D+00  0.167990D+01  0.139613D+01 -0.354415D+01  0.174934D+01
               126           127           128           129           130 
      1   0.591501D+01  0.842682D+00 -0.396435D-01 -0.780438D+00  0.314063D+00
      2   0.301304D+01 -0.811262D-01  0.103100D+00  0.513303D+00 -0.158226D+01
      3   0.379388D+01  0.114987D+01  0.714431D+00  0.463885D+00  0.656754D+01
               131           132           133           134           135 
      1   0.658377D+00 -0.245953D+01  0.878239D+00  0.117023D+01 -0.189251D+01
      2   0.194252D+01  0.209163D+01 -0.365294D+01  0.101580D+01  0.259660D+01
      3  -0.235264D+01 -0.115611D+01  0.213600D+01 -0.119734D+01 -0.293237D+00
               136           137           138           139           140 
      1  -0.167309D+00  0.146640D+00 -0.412868D+00  0.614626D-01 -0.162155D+01
      2  -0.808516D+00 -0.903090D+00  0.790315D+01  0.227234D+01  0.645711D+00
      3   0.160108D+02 -0.915236D+01  0.173724D+01  0.131772D+02  0.475764D+01
               141           142           143           144           145 
      1  -0.351807D+01  0.578297D+00  0.123024D+01  0.334106D+00  0.101589D+02
      2  -0.110818D+01 -0.827132D+01 -0.265653D+01  0.614917D+00  0.232021D+01
      3  -0.774553D+00 -0.139886D+00  0.447783D+00  0.202198D+01  0.309717D+01
               146           147           148           149           150 
      1  -0.397685D+00 -0.793723D-01 -0.705776D+00 -0.800373D+01 -0.191964D+02
      2  -0.134780D+02  0.157785D+02 -0.126346D+02  0.285573D+01  0.761155D+00
      3  -0.645433D+01  0.390688D+01 -0.263249D+01 -0.156541D+00 -0.191121D+01
               151           152           153           154           155 
      1  -0.542030D+00 -0.103682D+02 -0.344730D+01 -0.117317D+01  0.506177D-01
      2   0.664293D+01  0.135558D+01 -0.195268D+01 -0.834352D+01  0.400168D+01
      3   0.232425D+01 -0.213905D+01 -0.106705D+01 -0.160715D+02  0.147988D+01
               156           157           158           159           160 
      1   0.569701D+00  0.797335D+00  0.311379D+01 -0.784565D+00  0.147005D+01
      2  -0.110674D+02  0.500506D+01 -0.100449D+02  0.279771D+01 -0.224930D+02
      3  -0.290636D+01  0.976320D+01  0.205717D+02  0.931931D+01 -0.370303D+01
               161           162           163           164           165 
      1   0.297884D+01 -0.102987D+01 -0.862958D+01  0.219910D+01 -0.631294D+01
      2   0.189306D+01  0.184614D+02 -0.307245D+01  0.746904D+01 -0.466749D+01
      3   0.969226D+01 -0.239797D+01 -0.143206D+02 -0.167864D+02  0.954515D+00
               166           167           168           169           170 
      1   0.221068D+01 -0.658319D+01  0.140159D+01 -0.878354D+01  0.100772D+02
      2   0.662514D+01 -0.600783D+01  0.151790D+01 -0.106484D+02  0.460767D+01
      3  -0.114832D+02  0.347079D+01  0.406295D+01  0.186355D+01  0.433647D+01
               171           172           173           174           175 
      1   0.145138D+02 -0.497592D+01  0.544582D+01 -0.190880D+00  0.379654D+01
      2   0.115385D+02 -0.160006D+02  0.738889D+01 -0.615346D+01  0.852106D+01
      3   0.287142D+01 -0.725855D+01  0.157451D+01 -0.290420D+01  0.494890D+01
               176           177           178           179           180 
      1  -0.463592D+01  0.198163D+01 -0.885552D+00  0.338695D+01 -0.964083D+00
      2  -0.588475D+01  0.339308D+01 -0.610715D+01  0.309577D+01 -0.476667D+01
      3  -0.201751D+01  0.219993D+01 -0.176646D+01  0.641717D+00 -0.216155D+01
               181           182           183           184           185 
      1  -0.441322D+01 -0.536439D+01  0.196004D-01 -0.353889D+01 -0.423913D+01
      2   0.120997D+02  0.497666D+01 -0.144149D+01  0.654175D+01  0.281687D+01
      3   0.352625D+01 -0.122863D+01 -0.638139D+00  0.231824D+01 -0.107748D+01
               186           187           188           189           190 
      1   0.171469D+01  0.963267D+00  0.349733D+01 -0.114027D+01  0.134397D+01
      2  -0.761537D+00 -0.424261D+01 -0.158769D+01  0.224991D+01 -0.853768D+00
      3   0.464173D+00 -0.855203D+00  0.753044D+00  0.662678D+00  0.214014D+00
               191           192           193           194           195 
      1  -0.762727D-01  0.551010D+00 -0.157507D+00  0.162968D+02  0.887105D+01
      2  -0.747660D+00 -0.182845D+01 -0.386044D+01 -0.138607D+01 -0.297031D+01
      3  -0.485679D+00 -0.612925D+00  0.176733D+01  0.184812D+01  0.154078D+01
               196           197           198           199           200 
      1   0.189182D+00  0.955248D+01  0.863345D+01 -0.726569D+00 -0.950933D-03
      2  -0.375211D+01 -0.150897D+01 -0.282033D+01  0.205831D+01  0.387273D+00
      3   0.252612D+00  0.124821D+01  0.123639D+01 -0.394321D+01 -0.266940D+01
               201           202           203           204           205 
      1  -0.351283D+00 -0.170571D-01 -0.303674D+01 -0.376023D+01  0.307258D-01
      2   0.137382D+01 -0.157614D+00  0.528482D+01  0.541623D+01  0.605517D+00
      3   0.455010D+00 -0.975467D+00 -0.265430D+02 -0.563230D+01  0.767340D+00
               206           207           208           209           210 
      1  -0.390749D+00 -0.969732D+00  0.957872D-01  0.543255D+00  0.334339D+00
      2   0.381540D+01  0.178726D+01  0.942074D+01 -0.288620D+01  0.902652D+01
      3  -0.585651D+01 -0.347935D+01  0.838017D+01 -0.770241D+01  0.295361D+01
               211           212           213           214           215 
      1  -0.327462D+00 -0.512239D+00 -0.105890D+01 -0.102436D+00  0.113334D+01
      2  -0.427917D+01  0.398016D+01 -0.528678D+01  0.845794D+01 -0.301290D+01
      3  -0.559195D+01  0.575697D+01 -0.354251D+01  0.378014D+01 -0.590379D+01
               216           217           218           219           220 
      1   0.414948D+00  0.476436D+00 -0.801155D+00 -0.782053D+00 -0.862102D-01
      2   0.665572D+01 -0.543473D+01 -0.429535D+00  0.780071D+01 -0.124341D+00
      3   0.307610D+01  0.116686D+01 -0.239143D+01 -0.155171D+00 -0.138134D+01
               221           222           223           224           225 
      1   0.288737D-01 -0.578522D+00 -0.563386D+00  0.314034D+01  0.178862D+01
      2  -0.204169D+01 -0.851840D+00  0.888457D+01  0.162958D+00 -0.264636D+02
      3  -0.111719D+01  0.192999D+01  0.477962D+00  0.473067D+01  0.122408D-01
               226           227           228           229           230 
      1   0.361840D+01  0.146711D+01 -0.344665D+01  0.173133D+01  0.269737D+01
      2  -0.338304D+01 -0.216870D+01  0.640103D+00 -0.189304D+01 -0.120826D+01
      3   0.200197D+02  0.964314D+01 -0.149118D+01  0.116505D+02  0.106981D+02
               231           232           233           234           235 
      1  -0.291619D+01 -0.172208D+01 -0.779344D+00  0.185309D+00 -0.197529D+01
      2  -0.112890D+00 -0.115941D+01 -0.109062D+01 -0.822591D+00 -0.150967D+01
      3  -0.415995D+00 -0.212843D+01 -0.949879D+00  0.244106D+01  0.127980D+00
               236           237           238           239           240 
      1   0.100555D+00  0.356113D+01  0.388263D+00 -0.184855D+01 -0.139718D+01
      2   0.456625D+00  0.353616D+01 -0.292147D+00 -0.183717D+01 -0.676876D+00
      3  -0.349679D+00  0.134512D+01  0.117856D+01  0.994385D-01  0.131141D+01
               241           242           243           244           245 
      1   0.441141D+01  0.100723D+00 -0.182189D+02  0.564631D+01 -0.379767D+01
      2   0.657395D+00 -0.425047D+01 -0.162217D+02  0.511308D+01 -0.402782D+01
      3   0.263012D+01  0.404788D+01  0.494921D+00 -0.357738D+01 -0.243690D+01
               246           247           248           249           250 
      1   0.533857D+01 -0.364074D+01  0.492515D+01 -0.427640D+01  0.443420D+01
      2   0.564528D+01 -0.317510D+01  0.427100D+01 -0.302601D+01  0.358138D+01
      3  -0.131763D+01  0.280176D+01  0.325623D+01 -0.645231D+00 -0.240670D+01
               251           252           253           254           255 
      1  -0.331604D+01  0.339786D+01 -0.316298D+00 -0.221561D+00 -0.130158D+01
      2  -0.387107D+01  0.338319D+01 -0.301963D+01 -0.101570D+01 -0.112863D+02
      3  -0.326919D+01 -0.262534D+00 -0.143903D+02  0.259269D+01  0.549715D+00
               256           257           258           259           260 
      1   0.546959D+00  0.149925D+01  0.739728D+01  0.745660D+00  0.984633D+01
      2  -0.236020D+01  0.207206D+01 -0.831075D+01 -0.200920D+02 -0.912222D+00
      3   0.940699D+00  0.232432D+02 -0.177826D+01  0.243931D+01 -0.263228D+01
               261           262           263           264           265 
      1  -0.181589D+01 -0.156054D+00  0.417569D+00  0.168091D+01  0.449355D-01
      2   0.187883D+01  0.175108D+01  0.157653D+01  0.574150D+01  0.206394D+01
      3   0.276545D+01  0.225970D+02 -0.153450D+01 -0.117745D+01  0.152807D+02
               266           267           268           269           270 
      1   0.901186D+00  0.223284D+01 -0.371151D+01  0.780807D+01 -0.658271D+00
      2   0.191683D+01  0.175521D+02 -0.930510D+01  0.229040D+02 -0.504965D+01
      3  -0.135681D+02 -0.196034D+01 -0.153796D+01 -0.283994D+01 -0.209721D+02
               271           272           273           274           275 
      1   0.607034D+00  0.386979D+00  0.828487D+00  0.951141D-01  0.263382D-02
      2  -0.996505D+00 -0.357982D-01  0.667780D+01  0.638048D+00 -0.243786D+01
      3  -0.761273D+01 -0.769501D+01 -0.414033D+00  0.341390D+01 -0.382180D+02
               276           277           278           279           280 
      1  -0.994487D+01 -0.240594D+00  0.341748D+00  0.114566D+01  0.433574D+00
      2   0.114726D+02  0.485530D+01  0.781074D+01 -0.316901D+01  0.337172D+01
      3   0.204153D+01 -0.104727D+01  0.270288D+01 -0.784636D+01  0.223113D-01
               281           282           283           284           285 
      1  -0.135787D+00 -0.667594D-01 -0.731995D+00  0.101225D+01 -0.357639D+01
      2  -0.368218D+00  0.776735D+00 -0.235147D+01  0.877734D+01 -0.116406D+02
      3  -0.505206D+00 -0.415508D+00 -0.375416D+01  0.144384D+02 -0.797888D+01
               286           287           288           289           290 
      1   0.126685D+01 -0.940782D+00  0.497991D+01 -0.109639D+00  0.333973D-02
      2   0.523380D+01 -0.134296D+02  0.222025D+02 -0.202565D+01 -0.527007D+00
      3   0.221646D+01 -0.112755D+02  0.124840D+02 -0.147116D+02 -0.100902D+02
               291           292           293           294           295 
      1   0.296729D+00  0.647962D-01 -0.439139D-01 -0.821497D+00  0.748783D+00
      2   0.707530D+01 -0.737773D+00 -0.690000D+00  0.203794D+01  0.415312D+01
      3   0.495550D+00 -0.846366D+01 -0.740224D+01  0.572217D+00  0.585262D+00
               296           297           298           299           300 
      1   0.432655D+00 -0.221026D-01 -0.561333D+00 -0.118490D-01 -0.235041D+00
      2  -0.636704D+00 -0.454745D+00 -0.324295D+01 -0.181063D+00  0.297074D+00
      3   0.922022D+00  0.373717D-01  0.533903D+00  0.296648D+00  0.883224D+00
               301           302           303           304           305 
      1   0.956670D+00 -0.223912D+01 -0.422793D+01  0.114587D+01 -0.173268D+01
      2   0.193259D+01 -0.101212D+02 -0.117006D+02  0.407132D+01 -0.131996D+02
      3  -0.387511D+01  0.192214D+02  0.903473D+01 -0.182175D+01  0.129106D+02
               306 
      1  -0.445393D+01
      2  -0.162373D+02
      3   0.122641D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.180619D+01 -0.112767D+02 -0.200924D+02 -0.778158D+01 -0.106232D+02
      2   0.791836D+01  0.422842D+01 -0.414761D+01  0.365809D+01  0.113327D+02
      3  -0.611217D+01  0.704824D+01  0.242400D+02  0.412348D+01 -0.709449D+00
      4  -0.167748D+02 -0.100049D+02 -0.133566D+02 -0.934102D+01  0.543771D+01
      5  -0.178794D+02 -0.155073D+02 -0.999330D+01 -0.122086D+02 -0.148558D+01
      6  -0.226963D+02 -0.739302D+01  0.514993D+01 -0.533180D+01  0.736631D+01
                 6             7             8             9            10 
      1   0.165936D+01 -0.135314D+02  0.251516D+01  0.147548D+02  0.100928D+02
      2   0.763623D+01 -0.372229D+01  0.751596D+01 -0.629393D+01 -0.215724D+02
      3  -0.929559D+01  0.172537D+02 -0.100311D+02 -0.846085D+01  0.114795D+02
      4  -0.106561D+01 -0.747750D+01  0.148651D-01 -0.703562D+00  0.724181D+00
      5  -0.613380D+01 -0.264423D+01 -0.563892D+01  0.110774D+02  0.421881D+01
      6  -0.567237D+01  0.417103D+01 -0.740721D+01 -0.937980D+01  0.576527D+01
                11            12            13            14            15 
      1  -0.165882D+01  0.616358D-02 -0.273230D+01 -0.331003D+00 -0.484903D+01
      2  -0.200773D+01  0.911055D+01 -0.867906D+00 -0.337263D+01  0.124865D+02
      3   0.366655D+01 -0.911671D+01  0.360020D+01  0.370363D+01 -0.763750D+01
      4  -0.173540D+02  0.668355D+01 -0.131709D+02 -0.226104D+01  0.103243D+02
      5   0.554135D+01 -0.433211D+01  0.464777D+01  0.806991D+01  0.433541D+01
      6   0.816374D+01 -0.652321D+01  0.640483D+01  0.104873D+02  0.175052D+01
                16            17            18            19            20 
      1  -0.263414D+01 -0.649736D+01 -0.431232D+01 -0.139990D+00  0.563104D+01
      2   0.891437D+01  0.149610D+02  0.977918D+01 -0.235376D-01 -0.578939D+01
      3  -0.628023D+01 -0.846367D+01 -0.546686D+01  0.163527D+00  0.158343D+00
      4   0.346282D+01  0.104066D+02 -0.386228D+01  0.993142D+01 -0.421436D+01
      5  -0.443780D+01  0.247589D+00 -0.533429D+01 -0.146039D+01  0.115734D+02
      6  -0.527934D+01  0.905559D+00 -0.364664D+01  0.119236D+02  0.785775D+00
                21            22            23            24            25 
      1   0.644172D+01  0.490300D+01  0.484191D+01 -0.113468D+01  0.120879D+02
      2   0.111707D+02 -0.625554D+01  0.746335D+00 -0.874078D+01  0.511689D+01
      3  -0.176124D+02  0.135254D+01 -0.558825D+01  0.987545D+01 -0.172048D+02
      4   0.818114D+01 -0.409151D+01 -0.745322D+01 -0.106490D+02  0.677077D+01
      5  -0.159068D+02  0.105725D+02 -0.112798D+02  0.119945D+02 -0.209577D+02
      6   0.103741D+02 -0.323742D+01 -0.861335D+01 -0.853641D+01  0.853051D+01
                26            27            28            29            30 
      1  -0.168720D+01 -0.175566D+02 -0.240070D+00  0.154665D+01 -0.928135D+01
      2  -0.642322D+01  0.106711D+02  0.822132D+01 -0.309735D+01 -0.707853D+01
      3   0.811042D+01  0.688554D+01 -0.798125D+01  0.155071D+01  0.163599D+02
      4  -0.514553D+01  0.147565D+02  0.164276D+01  0.139381D+01 -0.482638D+00
      5   0.140959D+02 -0.775219D+01 -0.701880D+00 -0.432135D+01 -0.727371D+01
      6  -0.491038D+01  0.942340D+01 -0.752666D+01  0.154082D+00 -0.284564D+01
                31            32            33            34            35 
      1   0.132608D+01  0.137110D+02  0.221541D+01 -0.125420D+02  0.275164D+01
      2  -0.443211D+01 -0.205404D+02  0.110289D+02 -0.477957D+01  0.468907D+01
      3   0.310603D+01  0.682939D+01 -0.132443D+02  0.173216D+02 -0.744071D+01
      4   0.265650D+01  0.390349D+00  0.170102D+01 -0.207757D+01 -0.329494D+00
      5  -0.517870D+01  0.661527D+01  0.226315D+01 -0.237813D+01 -0.344344D+00
      6   0.304298D+01  0.199073D+02 -0.136050D+01 -0.475388D+01  0.138210D+01
                36            37            38            39            40 
      1  -0.246417D+01 -0.378099D+02  0.325556D+01  0.804453D+00  0.102844D+02
      2   0.412072D+01  0.191725D+02 -0.326465D+01  0.104593D+00 -0.365701D+01
      3  -0.165655D+01  0.186374D+02  0.909762D-02 -0.909047D+00 -0.662738D+01
      4  -0.357357D+01 -0.193910D+01 -0.110683D+02  0.179001D+01 -0.391833D+01
      5   0.934799D+01  0.690967D+00  0.254239D+01 -0.970546D+01  0.344839D+01
      6  -0.728477D+01  0.468597D+01 -0.109804D+01 -0.118005D+01 -0.220577D+01
                41            42            43            44            45 
      1   0.295431D+01 -0.152245D+01  0.430002D+01 -0.286023D+01  0.843378D+01
      2   0.186063D+00 -0.269185D+01  0.276025D-01  0.246472D+01 -0.290776D+01
      3  -0.314038D+01  0.421430D+01 -0.432762D+01  0.395505D+00 -0.552602D+01
      4   0.615732D+00 -0.211254D+01  0.160921D+01  0.240699D+00 -0.556424D+00
      5  -0.260811D+01 -0.282175D+01 -0.373810D+01 -0.187950D+01 -0.320973D+01
      6  -0.564095D+01 -0.843548D+01  0.930886D+00 -0.596645D+01 -0.813630D+00
                46            47            48            49            50 
      1  -0.178234D+02  0.788095D+01 -0.307802D+01  0.142776D+02 -0.624680D+01
      2   0.293496D+01  0.430123D+00  0.106150D+00 -0.618134D+01 -0.527109D+01
      3   0.148885D+02 -0.831107D+01  0.297187D+01 -0.809631D+01  0.115179D+02
      4   0.127846D+02 -0.261031D+01 -0.169532D+01 -0.629785D+00  0.400641D+00
      5  -0.350161D+01 -0.506064D+01  0.353892D+01 -0.416371D+01 -0.510733D+01
      6  -0.873633D+01  0.805597D+00  0.128577D+01  0.853414D+00 -0.649505D+01
                51            52            53            54            55 
      1   0.570367D+01 -0.794506D+01  0.901260D+01 -0.734957D+00  0.205741D+02
      2  -0.100422D+02  0.156978D+01 -0.139398D+02  0.444798D+00 -0.124482D+02
      3   0.433854D+01  0.637528D+01  0.492721D+01  0.290159D+00 -0.812590D+01
      4  -0.724740D+01  0.208815D+01 -0.106348D+02  0.126186D+01  0.260306D+02
      5   0.297633D+00  0.239133D+01 -0.160282D+01  0.760423D+01  0.293397D+02
      6   0.558103D+01  0.501133D+00  0.225422D+01  0.429320D+01  0.177095D+02
                56            57            58            59            60 
      1   0.401460D+01  0.481673D+01  0.377453D+01  0.117858D+01 -0.122126D+01
      2   0.378576D+00 -0.645011D+01  0.130747D+01  0.372433D+01 -0.452595D+00
      3  -0.439318D+01  0.163338D+01 -0.508200D+01 -0.490291D+01  0.167385D+01
      4   0.182584D+02  0.143237D+02  0.161121D+02  0.141048D+02  0.863308D+01
      5   0.155885D+02  0.212993D+02  0.115614D+02  0.110181D+02  0.867757D+01
      6   0.144863D+02  0.126609D+02  0.108479D+02  0.115812D+02  0.107375D+02
                61            62            63            64            65 
      1   0.268146D+01 -0.110977D+01 -0.764373D+00 -0.805069D+01  0.906358D+01
      2  -0.445057D+01 -0.229112D+01 -0.521075D+01 -0.234720D+01 -0.368623D+01
      3   0.176912D+01  0.340089D+01  0.597513D+01  0.103979D+02 -0.537735D+01
      4   0.799414D+01  0.594073D+01  0.823104D+01 -0.288933D+01  0.264560D+01
      5   0.145415D+02  0.813210D+01  0.128248D+02 -0.529033D+01  0.356266D+01
      6   0.778306D+01  0.892925D+01  0.112402D+02  0.102055D+02 -0.879933D+01
                66            67            68            69            70 
      1   0.170762D+02  0.422793D+01 -0.828374D+01 -0.816805D+01  0.107940D+02
      2   0.391819D+01 -0.271380D+01  0.305920D+01  0.199324D+01  0.227469D+01
      3  -0.209944D+02 -0.151413D+01  0.522454D+01  0.617481D+01 -0.130687D+02
      4   0.498131D+01  0.294162D+01 -0.125178D+01 -0.175690D+00  0.410719D+01
      5   0.728670D+01  0.271326D+01 -0.127476D+01  0.287045D+00  0.650464D+01
      6  -0.144996D+02 -0.436169D+01  0.841225D+01  0.137515D+02 -0.729204D+01
                71            72            73            74            75 
      1  -0.110613D+02 -0.287008D+02 -0.340873D+01  0.108457D+02  0.110231D+01
      2   0.161219D+00 -0.966690D+01  0.142619D+02 -0.192644D+02 -0.913937D+00
      3   0.109001D+02  0.383677D+02 -0.108532D+02  0.841873D+01 -0.188378D+00
      4   0.405337D+00 -0.160859D+01 -0.156238D+02  0.112565D+02 -0.122597D+01
      5   0.871124D+00 -0.185945D+01 -0.226151D+01  0.668917D+00  0.116693D+01
      6   0.150064D+02  0.248898D+02 -0.355392D+00 -0.195287D+01 -0.440923D+01
                76            77            78            79            80 
      1   0.592710D+01 -0.101115D+02 -0.531491D-02  0.589616D+00  0.179774D+00
      2  -0.124212D+02  0.205619D+02 -0.178693D+01 -0.124886D+01 -0.124030D+01
      3   0.649408D+01 -0.104503D+02  0.179225D+01  0.659241D+00  0.106053D+01
      4   0.103352D+02 -0.839722D+01 -0.661246D+00 -0.134748D-01 -0.134460D+01
      5   0.493099D+00 -0.160485D+01 -0.461106D+00  0.275118D+01 -0.709396D+00
      6  -0.147173D+01  0.315071D+00  0.359839D+01 -0.344311D+01  0.535113D+01
                81            82            83            84            85 
      1  -0.209628D+01  0.348263D+01 -0.399059D+01 -0.393830D+00 -0.214230D+01
      2   0.128710D+01  0.850130D+01  0.159669D+02 -0.380690D+01  0.104941D+02
      3   0.809185D+00 -0.119839D+02 -0.119764D+02  0.420073D+01 -0.835176D+01
      4  -0.150547D+01  0.148817D+02  0.193109D+02 -0.649436D+01  0.149393D+02
      5   0.487425D+00 -0.454722D+01 -0.404841D+01  0.522053D+01 -0.271352D+01
      6   0.131626D+01 -0.466774D+01 -0.550373D+01  0.693197D+01 -0.386495D+01
                86            87            88            89            90 
      1  -0.119427D+02  0.348848D+01  0.432164D+00  0.593784D+01 -0.305612D+01
      2   0.308785D+02 -0.882580D+01 -0.375805D+01 -0.121830D+02  0.434832D+01
      3  -0.189359D+02  0.533733D+01  0.332589D+01  0.624512D+01 -0.129220D+01
      4   0.217681D+02 -0.708387D+01 -0.620287D+01 -0.876839D+01  0.707238D+01
      5  -0.557727D+01  0.366068D+01  0.450972D+01  0.454818D+01 -0.469687D+01
      6  -0.942064D+01  0.723698D+01  0.548041D+01  0.960767D+01 -0.750959D+01
                91            92            93            94            95 
      1  -0.433486D+01 -0.285240D+02  0.804012D+01 -0.329777D+02  0.931038D+01
      2   0.957454D+01  0.130546D+02 -0.289360D+01  0.160886D+02 -0.935344D+01
      3  -0.523968D+01  0.154694D+02 -0.514653D+01  0.168891D+02  0.430633D-01
      4  -0.286148D+02  0.859801D+01 -0.247986D+01  0.565068D+01  0.137736D+02
      5   0.480351D+01 -0.605414D+00  0.162040D+02 -0.198127D+01  0.104168D+02
      6   0.358436D+01 -0.386305D+00 -0.255384D+01 -0.379816D+00 -0.233959D+01
                96            97            98            99           100 
      1  -0.213575D+01  0.745422D+01  0.963863D+00  0.185361D+02  0.982839D+01
      2  -0.218134D+01 -0.188806D+01 -0.587841D+01 -0.713357D+01 -0.124191D+02
      3   0.431709D+01 -0.556616D+01  0.491455D+01 -0.114026D+02  0.259075D+01
      4   0.132635D+02 -0.353235D+01  0.133881D+02 -0.669397D+01 -0.110873D+02
      5  -0.623748D+01  0.171474D+02 -0.418287D+01 -0.172271D+02  0.213305D+02
      6  -0.559437D+00 -0.304359D+01  0.984174D+00  0.365138D+01 -0.888378D+01
               101           102           103           104           105 
      1  -0.317725D+01  0.243113D+01 -0.208752D+01 -0.337698D+01  0.393958D+01
      2   0.390496D+01 -0.117851D+02  0.322039D+01 -0.100310D+01  0.391366D+01
      3  -0.727706D+00  0.935397D+01 -0.113286D+01  0.438007D+01 -0.785324D+01
      4   0.940396D+01 -0.848348D+01  0.976158D+01 -0.961632D+01  0.102566D+02
      5  -0.105850D+02  0.244359D+02 -0.107001D+02  0.120373D+02 -0.132178D+02
      6   0.655895D+01 -0.866941D+01  0.759052D+01 -0.111597D+02  0.151115D+02
               106           107           108           109           110 
      1  -0.125541D+01  0.356819D+01 -0.808870D+01 -0.213076D-01 -0.941964D+00
      2  -0.978278D+01  0.474133D+01 -0.176583D+02  0.267619D+01  0.237543D+01
      3   0.110382D+02 -0.830952D+01  0.257470D+02 -0.265488D+01 -0.143347D+01
      4  -0.636140D+01  0.730968D+01 -0.106571D+02  0.614828D+00  0.579335D+01
      5   0.210497D+02 -0.114917D+02  0.293943D+02 -0.893464D+00 -0.222220D+01
      6  -0.777421D+01  0.118868D+02 -0.154060D+02 -0.276736D+01 -0.137566D+01
               111           112           113           114           115 
      1   0.111776D+01 -0.101795D+01 -0.261546D+02  0.101070D+02  0.280952D+01
      2   0.211406D+00  0.252665D+01  0.367032D+02 -0.803919D+01 -0.971165D-02
      3  -0.132916D+01 -0.150871D+01 -0.105486D+02 -0.206785D+01 -0.279981D+01
      4  -0.128719D+01  0.561691D+01  0.178214D+01 -0.130485D+01 -0.127059D+00
      5   0.317626D+01 -0.356435D+01 -0.449878D+01  0.124180D+01  0.276201D+01
      6   0.114645D+01 -0.422588D+01 -0.282608D+02  0.132555D+02  0.190993D+01
               116           117           118           119           120 
      1   0.561248D+01 -0.538070D+01  0.197513D+01 -0.114509D+01  0.460646D+01
      2  -0.241364D+01  0.319849D+01 -0.101347D+02  0.161204D+01  0.784500D+01
      3  -0.319883D+01  0.218220D+01  0.815958D+01 -0.466948D+00 -0.124515D+02
      4   0.350531D-01  0.533856D+00  0.161066D+01  0.149451D+01 -0.156341D+01
      5   0.919322D+00 -0.192180D+01 -0.124800D+02  0.117334D+01  0.133761D+02
      6   0.996532D+01 -0.632785D+01  0.569884D-01 -0.264292D+01  0.214096D+01
               121           122           123           124           125 
      1   0.511208D-01 -0.380025D+01 -0.355514D+01  0.369191D+01  0.473032D-01
      2   0.283678D+01  0.948268D+00 -0.491130D+01  0.790639D+01 -0.287196D+01
      3  -0.288790D+01  0.285199D+01  0.846644D+01 -0.115983D+02  0.282466D+01
      4   0.118832D+01 -0.671584D+00 -0.117733D+01 -0.166966D+01 -0.128412D+01
      5   0.434151D+01 -0.302290D+01 -0.392974D+01  0.122487D+02 -0.290833D+00
      6  -0.243939D+01  0.396294D-01  0.459491D+01  0.223133D+01  0.462155D+01
               126           127           128           129           130 
      1  -0.132767D+02  0.865987D+01  0.558938D+00  0.125620D+01  0.438854D+01
      2  -0.136319D+02 -0.320517D+01  0.173440D+00 -0.411781D+00 -0.201403D+01
      3   0.269087D+02 -0.545470D+01 -0.732378D+00 -0.844419D+00 -0.237451D+01
      4   0.188587D+01  0.161040D+01  0.324800D+01  0.199937D+01  0.427361D+01
      5  -0.140912D+02  0.222104D+01  0.152280D+01  0.303842D+01  0.218152D+01
      6  -0.195309D+01  0.272185D+01  0.113950D+01  0.173003D+01  0.135955D+01
               131           132           133           134           135 
      1  -0.881500D+01 -0.492896D+01  0.188703D+01 -0.422149D+01 -0.829212D+01
      2   0.102712D+02  0.457754D+01 -0.178805D+01  0.233742D+01  0.145407D+01
      3  -0.145619D+01  0.351420D+00 -0.989845D-01  0.188407D+01  0.683805D+01
      4   0.297466D+01  0.261468D+01  0.179213D+01  0.220110D+01  0.234620D+01
      5   0.259395D+01  0.270670D+01  0.370599D+01  0.270104D+01  0.441169D+01
      6   0.928488D+01  0.847838D+01  0.123749D+01  0.754607D+01  0.859944D+01
               136           137           138           139           140 
      1   0.241725D+02 -0.943874D+01  0.473873D+01 -0.243142D+02 -0.343344D+01
      2  -0.131901D+02  0.281686D+01 -0.236982D+01  0.132631D+02  0.487875D+01
      3  -0.109824D+02  0.662188D+01 -0.236890D+01  0.110511D+02 -0.144532D+01
      4  -0.840938D+01  0.187563D+02 -0.159285D+01  0.114171D+02 -0.317890D+01
      5   0.339824D+01 -0.128299D+01  0.159842D+02 -0.203300D+01  0.127709D+01
      6  -0.950719D+00 -0.615947D+00  0.507542D+00 -0.296506D-01  0.322880D+00
               141           142           143           144           145 
      1   0.480374D+00  0.307539D+01  0.920062D+00 -0.483911D+01  0.123310D+02
      2   0.403813D+00 -0.677505D+00 -0.287382D+00  0.111015D+01 -0.168828D+01
      3  -0.884187D+00 -0.239788D+01 -0.632680D+00  0.372897D+01 -0.106427D+02
      4   0.135274D+01 -0.106163D+01 -0.508239D+00 -0.285774D+01 -0.727691D+01
      5   0.119783D+01  0.127647D+01 -0.162090D+01  0.472027D+00  0.464348D+01
      6   0.527174D+01  0.585384D+00  0.332776D+01 -0.873012D+00  0.260150D+02
               146           147           148           149           150 
      1  -0.661076D+01  0.499404D+01 -0.648899D+01  0.103523D+02  0.657527D+01
      2   0.311979D+01 -0.347832D+01  0.340081D+01  0.915604D+01  0.853264D+01
      3   0.349098D+01 -0.151572D+01  0.308818D+01 -0.195083D+02 -0.151079D+02
      4  -0.891547D+01  0.104253D+02 -0.888907D+01  0.158433D+01  0.602819D+01
      5   0.214212D+02 -0.171779D+02  0.211739D+02  0.464276D+01  0.217292D+01
      6  -0.168113D+01 -0.561445D-01 -0.150081D+01 -0.338811D+01 -0.213215D+02
               151           152           153           154           155 
      1   0.423593D+01  0.302401D+01 -0.689649D+01 -0.729938D+00  0.313757D+02
      2  -0.172093D+01  0.907897D+01 -0.524948D+01  0.108556D+01 -0.160781D+02
      3  -0.251500D+01 -0.121030D+02  0.121460D+02 -0.355623D+00 -0.152975D+02
      4   0.620520D+01  0.478890D+01  0.130953D+01  0.314776D+02 -0.417788D+01
      5  -0.142021D+02  0.202375D+01 -0.408137D+01 -0.169071D+02  0.450039D+01
      6  -0.110196D+00 -0.160902D+02 -0.116819D+02 -0.103377D+01 -0.528179D+00
               156           157           158           159           160 
      1  -0.184905D+02  0.368743D+02 -0.852937D+01  0.778774D+01 -0.235574D+02
      2   0.598508D+01 -0.196449D+02  0.124060D+01 -0.418709D+01  0.572996D+01
      3   0.125054D+02 -0.172295D+02  0.728877D+01 -0.360065D+01  0.178275D+02
      4   0.479574D+01 -0.899189D+01 -0.269808D+02 -0.148422D+02  0.728523D+01
      5  -0.218428D+02  0.782093D+01 -0.140057D+02  0.595329D+01 -0.330141D+02
      6  -0.617299D+00 -0.831915D+00  0.114144D+01  0.119666D+01 -0.557667D-01
               161           162           163           164           165 
      1   0.687802D+01 -0.245647D+02  0.959119D+01  0.269714D+02 -0.776989D+01
      2  -0.341234D+01  0.202301D+02 -0.231167D+02 -0.129811D+02 -0.422542D+01
      3  -0.346567D+01  0.433453D+01  0.135255D+02 -0.139903D+02  0.119953D+02
      4  -0.154145D+02  0.462151D+01  0.233120D+02 -0.207402D+02  0.100285D+02
      5   0.492176D+01  0.330932D+02 -0.847925D+01  0.239960D+01 -0.927950D+01
      6   0.602596D+00  0.188840D+01  0.398761D+01 -0.722550D+01  0.831901D+01
               166           167           168           169           170 
      1   0.247455D+02 -0.940739D+01 -0.357141D+00 -0.109925D+02  0.127822D+01
      2  -0.122270D+02  0.834478D+01  0.104848D+02 -0.486987D+01  0.137506D+02
      3  -0.125185D+02  0.106261D+01 -0.101277D+02  0.158624D+02 -0.150289D+02
      4  -0.179826D+02 -0.693020D+01 -0.145210D+02  0.122938D+02 -0.177445D+02
      5   0.198519D+01 -0.119553D+02  0.226996D+01 -0.132860D+02  0.787733D+01
      6  -0.560799D+01  0.128870D+02 -0.598356D+00  0.113460D+02 -0.455452D+01
               171           172           173           174           175 
      1  -0.394472D+01 -0.582134D+01  0.795728D+01 -0.122014D+02  0.647274D+01
      2   0.113863D+02 -0.841838D+00 -0.385928D+01 -0.345677D+01 -0.377692D+01
      3  -0.744163D+01  0.666318D+01 -0.409800D+01  0.156582D+02 -0.269581D+01
      4   0.133887D+02 -0.718387D+01  0.554605D+01 -0.471907D+01  0.617557D+01
      5   0.255928D+02  0.184778D+02 -0.102119D+02  0.123268D+02 -0.108727D+02
      6  -0.196501D+02 -0.146491D+02  0.127269D+02 -0.116833D+02  0.103527D+02
               176           177           178           179           180 
      1  -0.108897D+02  0.884199D+01 -0.588495D+01  0.496095D+01 -0.909492D+01
      2   0.594392D+01 -0.118462D+01 -0.256134D+01 -0.957105D-01 -0.322770D+01
      3   0.494577D+01 -0.765737D+01  0.844629D+01 -0.486524D+01  0.123226D+02
      4  -0.398119D+01  0.135753D+01 -0.262387D+01  0.128575D+01 -0.234263D+01
      5   0.560723D+01 -0.500945D+01  0.847070D+01 -0.384676D+01  0.775532D+01
      6  -0.139497D+02  0.145771D+02 -0.663822D+01  0.919549D+01 -0.862992D+01
               181           182           183           184           185 
      1   0.718259D+01 -0.655153D+00  0.454510D+01  0.523932D+00 -0.536144D+01
      2  -0.734988D+01  0.792492D-01  0.742725D+01  0.327734D-01  0.289061D+01
      3   0.167294D+00  0.575904D+00 -0.119724D+02 -0.556706D+00  0.247082D+01
      4   0.137376D+02  0.109821D+02 -0.862861D+01  0.105627D+02  0.994736D+01
      5  -0.240883D+02 -0.136875D+02  0.196119D+02 -0.134568D+02 -0.106239D+02
      6  -0.135879D+02 -0.117039D+02  0.111718D+02 -0.943290D+01 -0.130783D+02
               186           187           188           189           190 
      1   0.559618D+01  0.192163D+01  0.280758D+01 -0.422127D+01 -0.216495D+01
      2   0.693375D+00  0.482119D+01  0.117093D+01 -0.587383D+01 -0.163992D+01
      3  -0.628956D+01 -0.674281D+01 -0.397851D+01  0.100951D+02  0.380487D+01
      4  -0.701149D+01 -0.466048D+01 -0.408284D+01  0.553395D+01 -0.160589D+00
      5   0.942713D+01  0.136149D+02  0.666508D+01 -0.125984D+02 -0.813753D+00
      6   0.138475D+02  0.677044D+01  0.918507D+01 -0.830237D+01  0.719307D+00
               191           192           193           194           195 
      1  -0.564551D+00 -0.228119D+01 -0.106920D+01 -0.912716D+01 -0.149286D+02
      2  -0.383920D+00  0.318681D+00 -0.293653D+00 -0.410782D+01 -0.117128D+02
      3   0.948471D+00  0.196251D+01  0.136285D+01  0.132350D+02  0.266414D+02
      4   0.294898D+01  0.703318D-01  0.273515D+01 -0.568995D+01 -0.326715D+01
      5   0.154480D+01  0.689168D+01  0.385122D+01 -0.287581D+01 -0.488055D+01
      6   0.878018D+00  0.592133D+00  0.718281D+00  0.209127D+02  0.161209D+02
               196           197           198           199           200 
      1  -0.138543D+01 -0.732322D+01 -0.143382D+02  0.363918D+01  0.535667D+01
      2   0.236106D+00 -0.750460D+01 -0.133368D+02  0.214305D+00 -0.316051D+00
      3   0.114932D+01  0.148278D+02  0.276750D+02 -0.385349D+01 -0.504062D+01
      4  -0.115813D-01 -0.255764D+01 -0.307495D+01  0.655496D+01  0.108291D+02
      5   0.584907D+01 -0.271319D+01 -0.466533D+01  0.349520D+01  0.730043D+00
      6   0.242464D+00  0.132444D+02  0.126357D+02  0.693371D+00  0.649301D-01
               201           202           203           204           205 
      1   0.402422D+01  0.155733D+02  0.434832D+01 -0.151724D+01  0.831615D+01
      2  -0.155817D+01 -0.511544D+01  0.910269D+01  0.211455D+01 -0.330359D+01
      3  -0.246604D+01 -0.104578D+02 -0.134510D+02 -0.597305D+00 -0.501256D+01
      4   0.126073D+01  0.179253D+02  0.428961D+02  0.740106D+01  0.221575D+01
      5   0.331533D+01 -0.278976D+00  0.709869D+01  0.731204D+01  0.580643D+01
      6   0.457883D+00 -0.571927D+00 -0.400979D+00  0.355019D+01  0.531135D+00
               206           207           208           209           210 
      1  -0.112972D+00  0.167454D+01  0.650872D+02 -0.162972D+02  0.179154D+02
      2   0.102387D+01 -0.141907D+01 -0.323504D+02  0.747335D+01 -0.924327D+01
      3  -0.910894D+00 -0.255461D+00 -0.327369D+02  0.882388D+01 -0.867217D+01
      4   0.844111D+01  0.527626D+01 -0.173325D+02  0.122166D+02 -0.482120D+01
      5   0.539184D+01  0.933830D+00  0.190999D+02 -0.494402D+01  0.151127D+02
      6   0.329247D+01  0.134138D+01 -0.423359D+00  0.410879D+00 -0.296135D+00
               211           212           213           214           215 
      1  -0.319385D+02  0.126363D+02 -0.697811D+01  0.328719D+02 -0.685123D+01
      2   0.147505D+02 -0.359278D+01  0.344589D+01 -0.172084D+02  0.339154D+01
      3   0.171880D+02 -0.904353D+01  0.353222D+01 -0.156636D+02  0.345969D+01
      4   0.182358D+02 -0.117795D+02  0.733932D+01 -0.833639D+01  0.942685D+01
      5  -0.849234D+01  0.713960D+01 -0.868674D+01  0.227406D+02 -0.642495D+01
      6   0.138110D+01 -0.125103D+01  0.176270D+01 -0.130167D+01  0.189744D+01
               216           217           218           219           220 
      1   0.161003D+02  0.180976D+02 -0.194286D+01 -0.113953D+02 -0.535167D+01
      2  -0.111519D+02 -0.127951D+02  0.104301D+01  0.890583D+01  0.322465D+01
      3  -0.494835D+01 -0.530255D+01  0.899853D+00  0.248949D+01  0.212703D+01
      4  -0.596582D+01 -0.140625D+01  0.386176D+01 -0.143841D+01  0.664417D+01
      5   0.127148D+02 -0.153733D+02 -0.966378D+00  0.195645D+02  0.362037D+00
      6  -0.164563D+01 -0.693865D+00 -0.100377D+01  0.863402D+00 -0.226950D+01
               221           222           223           224           225 
      1   0.247396D+01 -0.141306D+00 -0.233375D+02 -0.174520D+01  0.136134D+02
      2  -0.166752D+01 -0.183035D+00  0.186245D+02  0.998852D+00 -0.222849D+02
      3  -0.806441D+00  0.324342D+00  0.471305D+01  0.746348D+00  0.867144D+01
      4   0.187086D+01 -0.528022D+01 -0.237192D+01 -0.712826D+01  0.179472D+00
      5  -0.481963D+01 -0.226023D+01  0.327480D+02 -0.306001D-01 -0.493217D+02
      6   0.181835D+00  0.431086D+01  0.948713D+00  0.428097D+01 -0.277339D+01
               226           227           228           229           230 
      1  -0.154513D+02 -0.185079D+02  0.119879D+00 -0.137170D+02 -0.181643D+02
      2   0.154996D+02  0.220990D+02  0.689166D+00  0.149133D+02  0.254533D+02
      3  -0.482494D-01 -0.359108D+01 -0.809045D+00 -0.119632D+01 -0.728902D+01
      4   0.908381D+01  0.123772D+01 -0.261219D+01  0.653332D+01 -0.332111D+00
      5   0.523921D+01  0.109975D+01 -0.471724D+00  0.216087D+01  0.266164D+01
      6  -0.266686D+00  0.412039D+01  0.401834D+01  0.180603D+01  0.194028D+01
               231           232           233           234           235 
      1  -0.263589D+00  0.235703D+01  0.672230D+00 -0.360599D+01  0.376702D+01
      2  -0.996131D+00 -0.209560D+00 -0.342689D+01  0.181974D+01 -0.230158D+01
      3   0.125972D+01 -0.214747D+01  0.275466D+01  0.178626D+01 -0.146544D+01
      4   0.743923D+00 -0.229656D+01  0.313978D+01 -0.298078D+00 -0.755764D+01
      5  -0.925555D+00  0.124415D+01 -0.148194D+01 -0.164443D+01 -0.829042D+01
      6   0.399604D+01  0.192542D+01  0.420454D+01  0.141599D+01  0.437092D+01
               236           237           238           239           240 
      1  -0.295475D+01 -0.398023D+01 -0.431729D+00 -0.236233D+01 -0.341656D+01
      2   0.409418D+00  0.505622D+01 -0.898474D+00  0.147620D+01  0.353203D+01
      3   0.254533D+01 -0.107599D+01  0.133020D+01  0.886127D+00 -0.115473D+00
      4   0.750102D+01  0.528507D+01  0.444889D+01 -0.281045D+01 -0.389448D+01
      5   0.346242D+01  0.124261D+02  0.451849D+00 -0.375004D+01 -0.267170D+01
      6  -0.215897D+01 -0.687931D+01 -0.154940D+01  0.423396D+01  0.828193D+01
               241           242           243           244           245 
      1  -0.397825D+01 -0.547367D+01 -0.895053D+01  0.246545D+02 -0.125352D+02
      2   0.596715D+01  0.430647D+01 -0.120626D+02  0.111281D+01 -0.847745D+01
      3  -0.198890D+01  0.116719D+01  0.210132D+02 -0.257674D+02  0.210126D+02
      4   0.855470D+01 -0.105812D+02 -0.139019D+02 -0.363481D+02  0.330636D+02
      5   0.159547D+02 -0.112668D+02 -0.348575D+02  0.554684D+01 -0.325560D+01
      6  -0.981667D+01  0.147975D+02  0.302428D+02 -0.516218D+01  0.357470D+01
               246           247           248           249           250 
      1   0.600495D+01 -0.844555D+01  0.279420D+01 -0.681749D+00  0.101141D+02
      2   0.744508D+00 -0.743368D+01  0.170096D+02 -0.454731D+01  0.108535D+01
      3  -0.674946D+01  0.158792D+02 -0.198038D+02  0.522906D+01 -0.111994D+02
      4  -0.837780D+01  0.251589D+02 -0.287314D+02  0.812994D+01 -0.164208D+02
      5   0.799601D+01 -0.241959D+01  0.510930D+01 -0.394282D+01  0.927171D+01
      6  -0.714641D+01  0.357176D+01 -0.519496D+01  0.549478D+01 -0.784657D+01
               251           252           253           254           255 
      1  -0.230354D+01  0.351744D+01 -0.999198D+01  0.163678D+02 -0.244338D+01
      2  -0.885816D+01  0.276898D+00  0.464732D+01 -0.418913D+01  0.171341D+01
      3   0.111617D+02 -0.379434D+01  0.534466D+01 -0.121786D+02  0.729967D+00
      4   0.180390D+02 -0.109269D+02  0.215654D+02 -0.193432D+02 -0.423491D+00
      5  -0.757086D+01  0.527350D+01 -0.260194D+01 -0.266526D+00 -0.185385D+02
      6   0.810126D+01 -0.528844D+01  0.609924D+00 -0.319142D+00  0.270549D+01
               256           257           258           259           260 
      1   0.304614D+00 -0.231976D+01 -0.230824D+01 -0.854002D+00 -0.765543D+00
      2  -0.266635D+01 -0.107623D+02  0.206782D+00  0.116359D+00  0.196884D+01
      3   0.236173D+01  0.130821D+02  0.210146D+01  0.737643D+00 -0.120329D+01
      4  -0.303577D+02 -0.445882D+02  0.245479D+01  0.236548D+01  0.418630D+01
      5   0.121481D+01  0.209702D+01 -0.128761D+02  0.725691D+01 -0.506248D+01
      6  -0.926964D+00  0.614193D+00 -0.917288D+01  0.868825D+00  0.441326D+01
               261           262           263           264           265 
      1  -0.118361D+01 -0.242815D+02 -0.386414D+02  0.379750D+01 -0.571341D+02
      2  -0.650455D+01  0.170813D+02  0.174541D+02 -0.238936D+01  0.272802D+02
      3   0.768815D+01  0.720017D+01  0.211873D+02 -0.140814D+01  0.298539D+02
      4  -0.489978D+01 -0.430458D+02  0.907732D+01  0.119064D+01 -0.606397D+01
      5   0.376750D+01  0.388219D+01  0.104399D+01  0.604777D+01  0.127982D+01
      6   0.202027D+01 -0.119668D+01 -0.508134D+00 -0.231598D+01 -0.116702D+00
               266           267           268           269           270 
      1  -0.383183D+01  0.212983D+01  0.594698D+01  0.210188D+01  0.429172D+01
      2   0.298441D+01 -0.361100D+01 -0.204008D+01 -0.414971D+01 -0.522883D+01
      3   0.847425D+00  0.148117D+01 -0.390691D+01  0.204784D+01  0.937112D+00
      4   0.209261D+02  0.342732D+01  0.176874D+01  0.429456D+01  0.370730D+02
      5   0.385776D+01  0.322339D+02 -0.944904D+01  0.392377D+02 -0.886480D+01
      6  -0.196416D+01 -0.108570D+02  0.592396D+01 -0.149991D+02  0.302583D+01
               271           272           273           274           275 
      1   0.167079D+02  0.104589D+02 -0.166953D+01  0.423321D+02 -0.109575D+02
      2  -0.559441D+01 -0.322781D+01  0.569708D+00 -0.133606D+02  0.333611D+02
      3  -0.111135D+02 -0.723105D+01  0.109982D+01 -0.289715D+02 -0.224035D+02
      4   0.170513D+02  0.224195D+02 -0.583072D+00  0.377770D+02  0.764655D+02
      5  -0.114985D+01 -0.552161D+00  0.106545D+02 -0.191981D+00 -0.301917D+01
      6  -0.405261D+00  0.182968D+00  0.397220D+00  0.103234D+01 -0.328107D+00
               276           277           278           279           280 
      1   0.203860D+01 -0.345738D+01  0.109606D+01 -0.875801D-01  0.828670D+01
      2  -0.109208D+01  0.175367D+01 -0.163034D+01  0.816703D+00 -0.496484D+01
      3  -0.946519D+00  0.170371D+01  0.534285D+00 -0.729123D+00 -0.332186D+01
      4  -0.311854D+01 -0.154591D+01 -0.443818D+01  0.170613D+02 -0.203329D+01
      5   0.179583D+02  0.133075D+02  0.159500D+02 -0.454205D+01  0.700893D+01
      6   0.151910D+02  0.366970D+01  0.111934D+02 -0.211343D+01 -0.291987D+01
               281           282           283           284           285 
      1  -0.248004D+01  0.755641D+01 -0.878877D+01  0.686987D+00  0.177372D+01
      2   0.138216D+01 -0.350173D+01  0.316697D+01  0.450654D+01 -0.228283D+01
      3   0.109788D+01 -0.405467D+01  0.562180D+01 -0.519353D+01  0.509107D+00
      4   0.241434D+01 -0.322168D+01  0.150870D+02 -0.289126D+02  0.156159D+02
      5  -0.266150D+01  0.458437D+01 -0.671796D+01  0.160765D+02 -0.220857D+02
      6   0.169815D+00 -0.262745D+00  0.332776D+01 -0.948025D+01  0.109300D+02
               286           287           288           289           290 
      1   0.186966D+02 -0.629922D+00 -0.176363D+01  0.100455D+03  0.201065D+02
      2  -0.107616D+02 -0.369151D+00 -0.509437D+01 -0.534373D+02 -0.116788D+02
      3  -0.793494D+01  0.999073D+00  0.685800D+01 -0.470181D+02 -0.842771D+01
      4  -0.131385D+02  0.220820D+02 -0.238551D+02  0.147816D+02  0.144287D+02
      5   0.181955D+02 -0.253850D+02  0.419048D+02 -0.153613D+01 -0.312224D+00
      6  -0.569669D+01  0.128267D+02 -0.149728D+02  0.881993D+00  0.359663D+00
               291           292           293           294           295 
      1  -0.243919D+01  0.429962D+02  0.159365D+02 -0.860538D+00 -0.531641D+01
      2   0.122465D+01 -0.228356D+02 -0.762921D+01  0.660345D+00  0.281082D+01
      3   0.121454D+01 -0.201605D+02 -0.830730D+01  0.200193D+00  0.250559D+01
      4  -0.354568D+00  0.179739D+02  0.133185D+02 -0.986609D+00 -0.442817D+00
      5   0.132601D+02 -0.497787D+00 -0.905355D+00  0.409547D+01  0.147357D+02
      6  -0.778036D+00  0.428688D+00  0.410362D+00  0.185450D+01 -0.122342D+00
               296           297           298           299           300 
      1  -0.819841D+00  0.100119D+02  0.694074D+01 -0.333416D+01 -0.685109D+01
      2   0.817807D+00 -0.606931D+01 -0.320664D+01  0.194297D+01  0.309527D+01
      3   0.203376D-02 -0.394260D+01 -0.373411D+01  0.139118D+01  0.375582D+01
      4  -0.146294D+01 -0.327593D+00 -0.217619D+01  0.190973D+01  0.239826D+01
      5   0.460320D-01 -0.791262D+00 -0.586923D+01  0.168732D+01  0.228942D+01
      6   0.267931D+01 -0.180846D+00  0.299164D+01  0.314418D+00  0.263393D+00
               301           302           303           304           305 
      1  -0.109209D+02 -0.599704D+00 -0.307811D+01 -0.171056D+02 -0.579913D+00
      2   0.334520D+01  0.943000D+01  0.518764D+01  0.831194D+01  0.388254D+01
      3   0.757571D+01 -0.883029D+01 -0.210954D+01  0.879370D+01 -0.330263D+01
      4   0.168742D+02 -0.371543D+02 -0.169735D+02  0.118591D+02 -0.242011D+02
      5   0.521135D+01 -0.179046D+02 -0.219448D+02  0.136108D+02 -0.245493D+02
      6  -0.309051D+01  0.104989D+02  0.103183D+02 -0.487792D+01  0.124129D+02
               306 
      1  -0.224380D+01
      2  -0.461520D+00
      3   0.270532D+01
      4  -0.229200D+02
      5  -0.299248D+02
      6   0.120210D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.792518D+00      0.201438D+01      0.671925D+01
   x         -0.399882D+00     -0.101640D+01     -0.339034D+01
   y         -0.682884D+00     -0.173572D+01     -0.578973D+01
   z          0.429923D-01      0.109275D+00      0.364504D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139650D+03      0.206939D+02      0.230251D+02
   aniso      0.286901D+02      0.425143D+01      0.473036D+01
   xx         0.158276D+03      0.234541D+02      0.260962D+02
   yx        -0.240980D+01     -0.357096D+00     -0.397323D+00
   yy         0.133105D+03      0.197241D+02      0.219461D+02
   zx        -0.747736D+00     -0.110803D+00     -0.123285D+00
   zy        -0.361990D+00     -0.536414D-01     -0.596841D-01
   zz         0.127568D+03      0.189036D+02      0.210331D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.147347D+03      0.218346D+02      0.242943D+02
   aniso      0.311141D+02      0.461064D+01      0.513003D+01
   xx         0.167588D+03      0.248340D+02      0.276315D+02
   yx        -0.246442D+01     -0.365189D+00     -0.406328D+00
   yy         0.140167D+03      0.207707D+02      0.231105D+02
   zx        -0.728876D+00     -0.108008D+00     -0.120175D+00
   zy        -0.428191D+00     -0.634514D-01     -0.705992D-01
   zz         0.134287D+03      0.198992D+02      0.221409D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -2.34695539         -2.31069830          3.00693544
     6          0.03945243         -0.67474234          3.50351449
     6         -3.51318183         -1.05140682          0.65840305
     6         -1.76681862         -1.66169624         -1.58772636
     6          0.53733811          0.07168775         -1.10622672
     6         -0.05989549          1.37756853          1.42362544
     1         -3.63933844         -2.27305025          4.60982776
     1         -1.88515324         -4.28626128          2.64759821
     1          1.78335553         -1.75617724          3.39220290
     1         -0.01086082          0.20118038          5.36677333
     6         -2.97942034          1.79879542          1.12318670
     1         -5.49063769         -1.53145194          0.33654259
     1         -2.62723785         -1.25132595         -3.40940302
     1         -1.20422537         -3.64270666         -1.61150070
     1          0.76715778          1.44793784         -2.61387263
     8          2.90101757         -1.28117164         -0.91875038
     6          1.56922386          3.67089415          1.94901378
     6         -4.25097632          2.86656971          3.49082437
     6         -3.73912729          3.51006932         -1.08623449
     1          3.55697880          3.13338197          2.08104736
     1          1.04425832          4.56627264          3.73147236
     1          1.39916625          5.07814373          0.44897471
     1         -3.77933215          1.84906818          5.21222330
     1         -6.30279431          2.80858322          3.27245649
     1         -3.71932848          4.84102964          3.76701742
     1         -2.99857373          2.90837450         -2.90629655
     1         -3.09662191          5.44331854         -0.75827108
     1         -5.79583413          3.56853285         -1.24864692
     6          3.96889239         -2.01437686         -3.10785903
     6          6.42230969         -3.37242435         -2.63578167
     8          3.05601585         -1.62477918         -5.15752291
     1          7.70758109         -2.16007553         -1.57472492
     1          7.27041796         -3.90321399         -4.42796785
     1          6.07971368         -5.05539624         -1.49529810

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.792518D+00      0.201438D+01      0.671925D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.792518D+00      0.201438D+01      0.671925D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139650D+03      0.206939D+02      0.230251D+02
   aniso      0.286901D+02      0.425143D+01      0.473036D+01
   xx         0.147263D+03      0.218221D+02      0.242804D+02
   yx        -0.114901D+02     -0.170266D+01     -0.189447D+01
   yy         0.134209D+03      0.198878D+02      0.221281D+02
   zx        -0.838645D+01     -0.124274D+01     -0.138274D+01
   zy         0.508694D+01      0.753806D+00      0.838722D+00
   zz         0.137477D+03      0.203719D+02      0.226668D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.147347D+03      0.218346D+02      0.242943D+02
   aniso      0.311141D+02      0.461064D+01      0.513003D+01
   xx         0.155608D+03      0.230588D+02      0.256563D+02
   yx        -0.123426D+02     -0.182898D+01     -0.203502D+01
   yy         0.141366D+03      0.209482D+02      0.233080D+02
   zx        -0.920619D+01     -0.136422D+01     -0.151790D+01
   zy         0.556717D+01      0.824970D+00      0.917903D+00
   zz         0.145068D+03      0.214969D+02      0.239185D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U23-37\Freq\RB3LYP\Gen\C12H20O2\PIERPA\22-Jul-2021\0\\#P 
 B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm
 ,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq\\ROA calculat
 ions.\\0,1\C,-1.240639,-1.220521,-1.593952\C,-0.772379,-1.711714,-0.19
 6556\C,-1.356487,0.301932,-1.398559\C,0.077396,0.849484,-1.275021\C,0.
 495406,0.398364,0.144405\C,-0.70479,-0.420476,0.653009\H,-2.195583,-1.
 663465,-1.875848\H,-0.528201,-1.466626,-2.381766\H,0.193323,-2.210778,
 -0.227221\H,-1.481233,-2.413249,0.242895\C,-1.88835,0.419572,0.056917\
 H,-1.959508,0.80511,-2.154682\H,0.128882,1.932113,-1.369936\H,0.741881
 ,0.427523,-2.028774\H,0.689863,1.251037,0.790022\O,1.689332,-0.414672,
 0.16404\C,-0.691646,-0.656663,2.148773\C,-3.263934,-0.215407,0.272245\
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 THE LENGTH OF A MEETING IS PROPORTIONAL TO THE
 SQUARE OF THE PARTICIPANTS.
 Job cpu time:       1 days 11 hours 35 minutes 58.1 seconds.
 Elapsed time:       0 days  4 hours 27 minutes 39.1 seconds.
 File lengths (MBytes):  RWF=   1218 Int=      0 D2E=      0 Chk=     39 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul 22 22:35:37 2021.
